Scientific evidence classification · Phase 6A preserved + Phase 6B additions
PWWP Compounds
& Bioactivity
Explore experimentally studied preparations separately from deposited research ligands, buffers, ions and unresolved chemical evidence. Every role is source- and target-context specific.
Different denominators · 26 October 2026
38studied preparation profiles · 26 baseline + 12 new
109profiles with PWWP research-ligand geometry
93source assay / association observations · 80 baseline + 13 new
Combined Phase 6A + Phase 6B denominators. These groups overlap; the 109 structurally source-tagged research ligands are unchanged. Deposited components and reagents are not automatically biochemical binders.
Research candidates · not promoted to curated evidence
150 candidate records
150 total discovery records retained with verification decisions.
| Candidate | Source / target | Decision & unresolved question |
|---|---|---|
| CAND:CHEMBL:25865040 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865040",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL4778517",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865040,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "12.76",
"le": "0.23",
"lle": "0.08",
"sei": "8.11"
},
"modality": null,
"molecule_chembl_id": "CHEMBL4778517",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL4778517",
"pchembl_value": "4.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060429,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "25118.86",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "4.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865040",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865041 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865041",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL4758943",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865041,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "N#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "19.83",
"le": "0.38",
"lle": "2.18",
"sei": "12.70"
},
"modality": null,
"molecule_chembl_id": "CHEMBL4758943",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL4758943",
"pchembl_value": "5.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060430,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "2511.89",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "5.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865041",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865042 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865042",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5200945",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865042,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "14.88",
"le": "0.27",
"lle": "3.74",
"sei": "5.81"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5200945",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5200945",
"pchembl_value": "6.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060431,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "251.19",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865042",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865043 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865043",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5563959",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865043,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc(C#N)cc1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "15.49",
"le": "0.28",
"lle": "1.87",
"sei": "5.79"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5563959",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5563959",
"pchembl_value": "4.90",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060432,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "12589.25",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "4.9"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865043",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865044 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865044",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5562861",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865044,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "17.38",
"le": "0.32",
"lle": "3.81",
"sei": "6.35"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5562861",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5562861",
"pchembl_value": "6.30",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060433,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "501.19",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865044",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865045 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865045",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5562153",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865045,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "20.14",
"le": "0.37",
"lle": "4.14",
"sei": "8.88"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5562153",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5562153",
"pchembl_value": "7.30",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060434,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "50.12",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "7.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865045",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865046 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865046",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5556655",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865046,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
"text_value": null,
"type": "TIME",
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"status": "candidate_not_promoted",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865051 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
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"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865052",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"bao_endpoint": "BAO_0000190",
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},
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"qudt_units": "http://www.openphacts.org/units/Nanomolar",
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"src_id": 1,
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"standard_value": "125.89",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865054 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"document_chembl_id": "CHEMBL5506052",
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"bei": "20.38",
"le": "0.37",
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},
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"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060443,
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"src_id": 1,
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"standard_text_value": null,
"standard_type": "IC50",
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"standard_value": "79.43",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
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"value": "7.1"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865054",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865055 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865055",
"document_chembl_id": "CHEMBL5506052",
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],
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"bao_endpoint": "BAO_0000190",
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"ligand_efficiency": {
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"le": "0.34",
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},
"modality": null,
"molecule_chembl_id": "CHEMBL5562340",
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"pchembl_value": "7.70",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060444,
"relation": "=",
"src_id": 1,
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"standard_value": "19.95",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
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"target_tax_id": "9606",
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"type": "pIC50",
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"upper_value": null,
"value": "7.7"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865055",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865056 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865056",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559177",
"original_row": {
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},
"activity_comment": null,
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"relation": "=",
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],
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"bao_endpoint": "BAO_0000190",
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"document_chembl_id": "CHEMBL5506052",
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"le": "0.31",
"lle": "2.80",
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},
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"pchembl_value": "7.20",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060445,
"relation": "=",
"src_id": 1,
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"standard_text_value": null,
"standard_type": "IC50",
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"standard_upper_value": null,
"standard_value": "63.1",
"target_chembl_id": "CHEMBL3108645",
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"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
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"type": "pIC50",
"units": null,
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"value": "7.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865056",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865057 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865057",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5562663",
"original_row": {
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},
"activity_comment": null,
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],
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"bao_endpoint": "BAO_0000190",
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"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "15.28",
"le": "0.28",
"lle": "2.05",
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},
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"pchembl_value": "6.70",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060446,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
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"standard_text_value": null,
"standard_type": "IC50",
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"standard_value": "199.53",
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"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
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"units": null,
"uo_units": "UO_0000065",
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"value": "6.7"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865057",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865058 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865058",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5557662",
"original_row": {
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},
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],
"assay_chembl_id": "CHEMBL5511281",
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"bao_endpoint": "BAO_0000190",
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"data_validity_comment": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
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"le": "0.34",
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},
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"pchembl_value": "9.00",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060447,
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"src_id": 1,
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"standard_text_value": null,
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"standard_value": "1.0",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
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"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
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"value": "9.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865058",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865059 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865059",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5565515",
"original_row": {
"action_type": {
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865063 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865064 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865064",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865065 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"candidate_id": "CAND:CHEMBL:25865065",
"document_chembl_id": "CHEMBL5506052",
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"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
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"relation": "=",
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"standard_text_value": null,
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"target_organism": "Homo sapiens",
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"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865065",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865066 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"document_chembl_id": "CHEMBL5506052",
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"document_journal": "J Med Chem",
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"le": "0.31",
"lle": "4.74",
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},
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"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060455,
"relation": "=",
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"standard_type": "IC50",
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"standard_value": "31.62",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
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"type": "pIC50",
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"value": "7.5"
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865066",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865067 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
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"document_chembl_id": "CHEMBL5506052",
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],
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"bao_endpoint": "BAO_0000190",
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"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "14.88",
"le": "0.27",
"lle": "3.79",
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},
"modality": null,
"molecule_chembl_id": "CHEMBL5532583",
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"parent_molecule_chembl_id": "CHEMBL5532583",
"pchembl_value": "6.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060456,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "251.19",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
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"value": "6.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865067",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865068 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865068",
"document_chembl_id": "CHEMBL5506052",
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}
],
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
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"data_validity_comment": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "17.44",
"le": "0.32",
"lle": "4.03",
"sei": "9.43"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5517660",
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"parent_molecule_chembl_id": "CHEMBL5517660",
"pchembl_value": "7.30",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060457,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
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"standard_value": "50.12",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
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"upper_value": null,
"value": "7.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865068",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865069 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865069",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5556330",
"original_row": {
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},
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"activity_properties": [
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"relation": "=",
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"standard_type": "TIME",
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"value": "45.0"
}
],
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"bao_endpoint": "BAO_0000190",
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"canonical_smiles": "Cc1ccc(CNC[C@H]2CCO2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "16.73",
"le": "0.31",
"lle": "3.73",
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},
"modality": null,
"molecule_chembl_id": "CHEMBL5556330",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5556330",
"pchembl_value": "7.00",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060458,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "100.0",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
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"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "7.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865069",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865070 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865070",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5556168",
"original_row": {
"action_type": {
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},
"activity_comment": null,
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"relation": "=",
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"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
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"bao_endpoint": "BAO_0000190",
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"data_validity_comment": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
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"ligand_efficiency": {
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"le": "0.30",
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"sei": "11.28"
},
"modality": null,
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"parent_molecule_chembl_id": "CHEMBL5556168",
"pchembl_value": "6.70",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060459,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
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"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "199.53",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.7"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865070",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865071 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865071",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5542423",
"original_row": {
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},
"activity_comment": null,
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],
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"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"assay_type": "B",
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"data_validity_comment": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
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"le": "0.33",
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"sei": "10.95"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5542423",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5542423",
"pchembl_value": "7.40",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060460,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
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"standard_text_value": null,
"standard_type": "IC50",
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"standard_upper_value": null,
"standard_value": "39.81",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "7.4"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865071",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865072 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865072",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5566275",
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"activity_id": 25865072,
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{
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"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.75",
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"type": "TIME",
"units": "min",
"value": "45.0"
}
],
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1nsc(C)c1-c1ccc2c(c1)OCC(=O)N2",
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"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "17.53",
"le": "0.33",
"lle": "2.19",
"sei": "13.96"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5566275",
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"parent_molecule_chembl_id": "CHEMBL5566275",
"pchembl_value": "7.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060461,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "25.12",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "7.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865072",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865073 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511281",
"assay_description": "Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay",
"candidate_id": "CAND:CHEMBL:25865073",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": {
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"relation": "=",
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"standard_relation": "=",
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"standard_type": "TIME",
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"type": "TIME",
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],
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
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"bao_label": "cell-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "19.64",
"le": "0.36",
"lle": "3.26",
"sei": "12.13"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5559507",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5559507",
"pchembl_value": "8.20",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060462,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "6.31",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "8.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865073",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865074 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865074",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5200945",
"original_row": {
"action_type": {
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"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
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"activity_properties": [
{
"comments": null,
"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
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"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.05",
"text_value": null,
"type": "TIME",
"units": "sec",
"value": "180.0"
}
],
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000034",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "15.56",
"le": "0.29",
"lle": "4.04",
"sei": "6.08"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5200945",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5200945",
"pchembl_value": "6.90",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060431,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "Kd",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "125.89",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pKd",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.9"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865074",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865075 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865075",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5563959",
"original_row": {
"action_type": {
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"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865075,
"activity_properties": [
{
"comments": null,
"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.05",
"text_value": null,
"type": "TIME",
"units": "sec",
"value": "180.0"
}
],
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000034",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc(C#N)cc1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "16.44",
"le": "0.30",
"lle": "2.17",
"sei": "6.14"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5563959",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5563959",
"pchembl_value": "5.20",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060432,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "Kd",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "6309.57",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pKd",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "5.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865075",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865076 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865076",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5562861",
"original_row": {
"action_type": {
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"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865076,
"activity_properties": [
{
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"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.05",
"text_value": null,
"type": "TIME",
"units": "sec",
"value": "180.0"
}
],
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000034",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1cc(C(N)=O)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "18.21",
"le": "0.33",
"lle": "4.11",
"sei": "6.65"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5562861",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5562861",
"pchembl_value": "6.60",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060433,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "Kd",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "251.19",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pKd",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865076",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865077 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865077",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5562153",
"original_row": {
"action_type": {
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"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
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},
"activity_comment": null,
"activity_id": 25865077,
"activity_properties": [
{
"comments": null,
"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
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"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "0.05",
"text_value": null,
"type": "TIME",
"units": "sec",
"value": "180.0"
}
],
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"assay_type": "B",
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000034",
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"canonical_smiles": "Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "20.42",
"le": "0.37",
"lle": "4.24",
"sei": "9.01"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5562153",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5562153",
"pchembl_value": "7.40",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060434,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "Kd",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "39.81",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pKd",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "7.4"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865077",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865078 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865078",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5557539",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865078,
"activity_properties": [
{
"comments": null,
"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
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"standard_type": "TIME",
"standard_units": "hr",
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"text_value": null,
"type": "TIME",
"units": "sec",
"value": "180.0"
}
],
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865081 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865082 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865083 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511282",
"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865083",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865083",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865084 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Binding affinity to human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865084",
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"standard_value": "158.49",
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"target_organism": "Homo sapiens",
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"uo_units": "UO_0000065",
"upper_value": null,
"value": "6.8"
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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"qudt_units": "http://www.openphacts.org/units/Nanomolar",
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"relation": "=",
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"standard_type": "Kd",
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"target_organism": "Homo sapiens",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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},
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"molecule_chembl_id": "CHEMBL5561556",
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"record_id": 4060449,
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865087 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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],
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"ligand_efficiency": {
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"le": "0.38",
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},
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"type": "pKd",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865088 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"document_chembl_id": "CHEMBL5506052",
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],
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},
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"record_id": 4060429,
"relation": "=",
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"standard_text_value": null,
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"standard_value": "125.89",
"target_chembl_id": "CHEMBL3108646",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD3",
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"text_value": null,
"toid": null,
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"units": null,
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865088",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865089 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5563959",
"original_row": {
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"activity_comment": "Not Active",
"activity_id": 25865089,
"activity_properties": [
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"relation": "\u003c=",
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"standard_relation": "\u003c=",
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],
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060432,
"relation": null,
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"target_chembl_id": "CHEMBL3108646",
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865090 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"candidate_id": "CAND:CHEMBL:25865090",
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"toid": null,
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865091 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Binding affinity to human NSD3 PWWP1 domain (263 to 398 residues) expressed in Escherichia coli Bl21 (DE3) gold cells assessed as dissociation constant measured upto 180 secs by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865091",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5517868",
"original_row": {
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"qudt_units": "http://www.openphacts.org/units/Nanomolar",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"record_id": 4060432,
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"standard_value": "979000.0",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
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"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865102",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865103 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Thermodynamic solubility of the compound at pH 7.4 incubated for 24 hrs",
"candidate_id": "CAND:CHEMBL:25865103",
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"molecule_chembl_id": "CHEMBL5562861",
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"activity_id": 25865103,
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],
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"record_id": 4060433,
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"standard_value": "205000.0",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "Therm_solubility",
"units": "uM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "205.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865103",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865104 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Thermodynamic solubility of the compound at pH 7.4 incubated for 24 hrs",
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],
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"record_id": 4060434,
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"standard_value": "1000000.0",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "Therm_solubility",
"units": "uM",
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"value": "1000.0"
},
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"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865105 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Thermodynamic solubility of the compound at pH 7.4 incubated for 24 hrs",
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| CAND:CHEMBL:25865111 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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| CAND:CHEMBL:25865112 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865113 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
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"standard_value": "1000000.0",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"standard_value": "2000.0",
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"target_pref_name": "No relevant target",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865117 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"standard_value": "1100.0",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
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"toid": null,
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"value": "1.1"
},
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"retrieval_date": "2026-10-26",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865118 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"standard_value": "4000.0",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "Therm_solubility",
"units": "uM",
"uo_units": "UO_0000065",
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"value": "4.0"
},
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"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865119 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Thermodynamic solubility of the compound at pH 7.4 incubated for 24 hrs",
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"standard_value": "55000.0",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "Therm_solubility",
"units": "uM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "55.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865119",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865120 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Thermodynamic solubility of the compound at pH 7.4 incubated for 24 hrs",
"candidate_id": "CAND:CHEMBL:25865120",
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"molecule_chembl_id": "CHEMBL5560960",
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"status": "candidate_not_promoted",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865134 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
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} |
| CAND:CHEMBL:25865135 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865135",
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"target_chembl_id": "CHEMBL2362975",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865137 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865137",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865138 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"target_pref_name": "No relevant target",
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865138",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865139 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865139",
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"molecule_chembl_id": "CHEMBL5560105",
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"target_pref_name": "No relevant target",
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865139",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865140 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865140",
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"original_row": {
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},
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"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865140",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865141 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865141",
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"original_row": {
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"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
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"relation": "=",
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"standard_value": "1.9",
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"target_pref_name": "No relevant target",
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865141",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865142 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865142",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5518061",
"original_row": {
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"activity_id": 25865142,
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"document_chembl_id": "CHEMBL5506052",
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"document_year": 2024,
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"standard_value": "0.8",
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"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
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"value": "0.8"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865142",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865143 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865143",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL6067694",
"original_row": {
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"activity_id": 25865143,
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"bao_endpoint": "BAO_0002129",
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"data_validity_comment": null,
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"document_chembl_id": "CHEMBL5506052",
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"ligand_efficiency": null,
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"record_id": 4060440,
"relation": "=",
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"standard_value": "1.9",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
"target_tax_id": null,
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"toid": null,
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"units": null,
"uo_units": null,
"upper_value": null,
"value": "1.9"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865143",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865144 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865144",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5555145",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865144,
"activity_properties": [],
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"status": "candidate_not_promoted",
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"status": "candidate_not_promoted",
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| CAND:CHEMBL:25865147 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"status": "candidate_not_promoted",
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} |
| CAND:CHEMBL:25865148 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865149 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865150 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865150",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865151 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865151",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865152 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865152",
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"standard_value": "0.1",
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"value": "0.1"
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865152",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865153 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"data_validity_description": null,
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"record_id": 4060451,
"relation": "=",
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"standard_value": "1.4",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
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"toid": null,
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"uo_units": null,
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865153",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865154 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"activity_id": 25865154,
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"document_chembl_id": "CHEMBL5506052",
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"record_id": 4060452,
"relation": "=",
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"standard_upper_value": null,
"standard_value": "0.3",
"target_chembl_id": "CHEMBL2362975",
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"target_pref_name": "No relevant target",
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"toid": null,
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"value": "0.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865154",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865155 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865155",
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"activity_id": 25865155,
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"assay_variant_mutation": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
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"molecule_chembl_id": "CHEMBL5532365",
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"parent_molecule_chembl_id": "CHEMBL5532365",
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060453,
"relation": "=",
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"standard_flag": 1,
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"standard_text_value": null,
"standard_type": "LogD",
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"standard_upper_value": null,
"standard_value": "1.3",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "1.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865155",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865156 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865156",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5527939",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865156,
"activity_properties": [],
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002129",
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
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"qudt_units": null,
"record_id": 4060454,
"relation": "=",
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"standard_type": "LogD",
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"standard_upper_value": null,
"standard_value": "1.1",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "1.1"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865156",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865157 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865157",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5542933",
"original_row": {
"action_type": null,
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"activity_id": 25865157,
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"assay_variant_mutation": null,
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"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
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"qudt_units": null,
"record_id": 4060455,
"relation": "=",
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"standard_upper_value": null,
"standard_value": "1.0",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
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"upper_value": null,
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},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865157",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865158 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865158",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5532583",
"original_row": {
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"activity_id": 25865158,
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"canonical_smiles": "Cc1cc(CNCc2nncn2C)ccc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
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"document_chembl_id": "CHEMBL5506052",
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"ligand_efficiency": null,
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"qudt_units": null,
"record_id": 4060456,
"relation": "=",
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"standard_relation": "=",
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"standard_type": "LogD",
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"standard_upper_value": null,
"standard_value": "0.8",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "0.8"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865158",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865159 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865159",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5517660",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865159,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"bao_endpoint": "BAO_0002129",
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"canonical_smiles": "Cc1ccc(CNC[C@@H]2CCO2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
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"parent_molecule_chembl_id": "CHEMBL5517660",
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060457,
"relation": "=",
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"standard_relation": "=",
"standard_text_value": null,
"standard_type": "LogD",
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"standard_upper_value": null,
"standard_value": "1.3",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
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"units": null,
"uo_units": null,
"upper_value": null,
"value": "1.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865159",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865160 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865160",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5556330",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865160,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002129",
"bao_format": "BAO_0000100",
"bao_label": "small-molecule physicochemical format",
"canonical_smiles": "Cc1ccc(CNC[C@H]2CCO2)cc1-c1ncn(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5556330",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5556330",
"pchembl_value": null,
"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060458,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "LogD",
"standard_units": null,
"standard_upper_value": null,
"standard_value": "1.2",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "1.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865160",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865161 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865161",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5556168",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865161,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"assay_type": "P",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002129",
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"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1cnn(C)c1-c1ccc2c(c1)OCC(=O)N2",
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"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5556168",
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"parent_molecule_chembl_id": "CHEMBL5556168",
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060459,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
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"standard_text_value": null,
"standard_type": "LogD",
"standard_units": null,
"standard_upper_value": null,
"standard_value": "2.1",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "2.1"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865161",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865162 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865162",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5542423",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865162,
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"assay_chembl_id": "CHEMBL5511285",
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"assay_variant_mutation": null,
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"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
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"ligand_efficiency": null,
"modality": null,
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060460,
"relation": "=",
"src_id": 1,
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"standard_relation": "=",
"standard_text_value": null,
"standard_type": "LogD",
"standard_units": null,
"standard_upper_value": null,
"standard_value": "2.9",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "2.9"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865162",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865163 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865163",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5566275",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865163,
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"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002129",
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"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1nsc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5566275",
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060461,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "LogD",
"standard_units": null,
"standard_upper_value": null,
"standard_value": "3.2",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "3.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865163",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865164 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
"candidate_id": "CAND:CHEMBL:25865164",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865164,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511285",
"assay_description": "Lipophilicity, logD of the compound at pH 7.4 by shake flask assay",
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"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002129",
"bao_format": "BAO_0000100",
"bao_label": "small-molecule physicochemical format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
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"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060462,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "LogD",
"standard_units": null,
"standard_upper_value": null,
"standard_value": "2.6",
"target_chembl_id": "CHEMBL2362975",
"target_organism": null,
"target_pref_name": "No relevant target",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "logD",
"units": null,
"uo_units": null,
"upper_value": null,
"value": "2.6"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865164",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865165 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511286",
"assay_description": "Passive permeability in human Caco-2 cells",
"candidate_id": "CAND:CHEMBL:25865165",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865165,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511286",
"assay_description": "Passive permeability in human Caco-2 cells",
"assay_type": "A",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002808",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5559507",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5559507",
"pchembl_value": null,
"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060462,
"relation": "=",
"src_id": 1,
"standard_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "permeability",
"standard_units": "10^-6 cm/s",
"standard_upper_value": null,
"standard_value": "16.3",
"target_chembl_id": "CHEMBL612558",
"target_organism": null,
"target_pref_name": "ADMET",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "permeability",
"units": "10^-6 cm/s",
"uo_units": null,
"upper_value": null,
"value": "16.3"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865165",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865166 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511287",
"assay_description": "Inhibition of C-terminal nanoluc-tagged NSD2 PWWP1 domain (208 to 396 residues) in human U2OS cells incubated for 2 hrs by NanoBRET target engagement assay",
"candidate_id": "CAND:CHEMBL:25865166",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865166,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "2.0",
"text_value": null,
"type": "TIME",
"units": "hrs",
"value": "2.0"
}
],
"assay_chembl_id": "CHEMBL5511287",
"assay_description": "Inhibition of C-terminal nanoluc-tagged NSD2 PWWP1 domain (208 to 396 residues) in human U2OS cells incubated for 2 hrs by NanoBRET target engagement assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "20.12",
"le": "0.37",
"lle": "3.46",
"sei": "12.43"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5559507",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5559507",
"pchembl_value": "8.40",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060462,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "3.981",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "8.4"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865166",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865167 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511288",
"assay_description": "Inhibition of NSD2 in human KMS-11 cells assessed as reduction in H3K36me2 levels incubated for 72 hrs by immunofluorescence assay",
"candidate_id": "CAND:CHEMBL:25865167",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865167,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "72.0",
"text_value": null,
"type": "TIME",
"units": "hrs",
"value": "72.0"
}
],
"assay_chembl_id": "CHEMBL5511288",
"assay_description": "Inhibition of NSD2 in human KMS-11 cells assessed as reduction in H3K36me2 levels incubated for 72 hrs by immunofluorescence assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000219",
"bao_label": "cell-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5559507",
"molecule_pref_name": null,
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"pchembl_value": null,
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060462,
"relation": "\u003c",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "\u003e",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "31622.78",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "pIC50",
"units": null,
"uo_units": "UO_0000065",
"upper_value": null,
"value": "4.5"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865167",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865168 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511289",
"assay_description": "Clearance in Wistar rat plasma at 0.5 mg/kg, iv measured upto 1440 mins by LC-MS/MS analysis",
"candidate_id": "CAND:CHEMBL:25865168",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
"original_row": {
"action_type": null,
"activity_comment": null,
"activity_id": 25865168,
"activity_properties": [
{
"comments": null,
"relation": "=",
"result_flag": 0,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "DOSE",
"standard_units": "mg.kg-1",
"standard_value": "0.5",
"text_value": null,
"type": "DOSE",
"units": "mg/kg",
"value": "0.5"
},
{
"comments": null,
"relation": null,
"result_flag": 0,
"standard_relation": null,
"standard_text_value": "IV",
"standard_type": "ROUTE",
"standard_units": null,
"standard_value": null,
"text_value": "IV",
"type": "ROUTE",
"units": null,
"value": null
},
{
"comments": null,
"relation": "\u003c=",
"result_flag": 0,
"standard_relation": "\u003c=",
"standard_text_value": null,
"standard_type": "TIME",
"standard_units": "hr",
"standard_value": "24.0",
"text_value": null,
"type": "TIME",
"units": "min",
"value": "1440.0"
}
],
"assay_chembl_id": "CHEMBL5511289",
"assay_description": "Clearance in Wistar rat plasma at 0.5 mg/kg, iv measured upto 1440 mins by LC-MS/MS analysis",
"assay_type": "A",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0002759",
"bao_format": "BAO_0000218",
"bao_label": "organism-based format",
"canonical_smiles": "Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": null,
"modality": null,
"molecule_chembl_id": "CHEMBL5559507",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5559507",
"pchembl_value": null,
"potential_duplicate": 0,
"qudt_units": null,
"record_id": 4060462,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "CL",
"standard_units": "mL.min-1.kg-1",
"standard_upper_value": null,
"standard_value": "50.0",
"target_chembl_id": "CHEMBL612558",
"target_organism": null,
"target_pref_name": "ADMET",
"target_tax_id": null,
"text_value": null,
"toid": null,
"type": "CL",
"units": "ml/min.kg",
"uo_units": null,
"upper_value": null,
"value": "50.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865168",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865169",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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"toid": null,
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"units": "L/Kg",
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"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
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"source_id": "P5:S:CARLINO2024",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"assay_description": "Tmax in Wistar rat at 1.0 mg/kg, po measured upto 1440 mins by LC-MS/MS analysis",
"candidate_id": "CAND:CHEMBL:25865172",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5559507",
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"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865172",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865173 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
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"assay_description": "AUC infinity in Wistar rat at 1.0 mg/kg, po measured upto 1440 mins by LC-MS/MS analysis",
"candidate_id": "CAND:CHEMBL:25865173",
"document_chembl_id": "CHEMBL5506052",
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"original_row": {
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
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"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
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"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865175 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511296",
"assay_description": "Inhibition of NSD3 PWWP1 domain (unknown origin) by TR-FRET assay",
"candidate_id": "CAND:CHEMBL:25865175",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL4778517",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865175,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511296",
"assay_description": "Inhibition of NSD3 PWWP1 domain (unknown origin) by TR-FRET assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000357",
"bao_label": "single protein format",
"canonical_smiles": "Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "18.59",
"le": "0.34",
"lle": "2.18",
"sei": "11.81"
},
"modality": null,
"molecule_chembl_id": "CHEMBL4778517",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL4778517",
"pchembl_value": "6.70",
"potential_duplicate": 1,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060429,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "200.0",
"target_chembl_id": "CHEMBL3108646",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD3",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "IC50",
"units": "uM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "0.2"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865175",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865176 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511297",
"assay_description": "Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR analysis",
"candidate_id": "CAND:CHEMBL:25865176",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5200945",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865176,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511297",
"assay_description": "Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR analysis",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000034",
"bao_format": "BAO_0000357",
"bao_label": "single protein format",
"canonical_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "15.88",
"le": "0.29",
"lle": "4.18",
"sei": "6.20"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5200945",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5200945",
"pchembl_value": "7.04",
"potential_duplicate": 1,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060431,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "Kd",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "91.0",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "Kd",
"units": "nM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "91.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865176",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865177 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511298",
"assay_description": "Inhibition of NSD2 PWWP1 domain (unknown origin) by alphascreen assay",
"candidate_id": "CAND:CHEMBL:25865177",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5200945",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865177,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511298",
"assay_description": "Inhibition of NSD2 PWWP1 domain (unknown origin) by alphascreen assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000357",
"bao_label": "single protein format",
"canonical_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "15.75",
"le": "0.29",
"lle": "4.12",
"sei": "6.15"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5200945",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5200945",
"pchembl_value": "6.98",
"potential_duplicate": 1,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060431,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "104.0",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "IC50",
"units": "nM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "104.0"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865177",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:CHEMBL:25865178 | P5:S:CARLINO2024 | candidate_not_promoted Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments. Original candidate data{
"assay_chembl_id": "CHEMBL5511299",
"assay_description": "Inhibition of NSD2 PWWP1 domain (unknown origin) by NanoBRET target engagement assay",
"candidate_id": "CAND:CHEMBL:25865178",
"document_chembl_id": "CHEMBL5506052",
"molecule_chembl_id": "CHEMBL5200945",
"original_row": {
"action_type": {
"action_type": "INHIBITOR",
"description": "Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway",
"parent_type": "NEGATIVE MODULATOR"
},
"activity_comment": null,
"activity_id": 25865178,
"activity_properties": [],
"assay_chembl_id": "CHEMBL5511299",
"assay_description": "Inhibition of NSD2 PWWP1 domain (unknown origin) by NanoBRET target engagement assay",
"assay_type": "B",
"assay_variant_accession": null,
"assay_variant_mutation": null,
"bao_endpoint": "BAO_0000190",
"bao_format": "BAO_0000357",
"bao_label": "single protein format",
"canonical_smiles": "O=C1COc2cc(C(=O)N(Cc3ccc(C(=O)Nc4ccncn4)cc3)C3CC3)ccc2N1",
"data_validity_comment": null,
"data_validity_description": null,
"document_chembl_id": "CHEMBL5506052",
"document_journal": "J Med Chem",
"document_year": 2024,
"ligand_efficiency": {
"bei": "20.09",
"le": "0.37",
"lle": "6.05",
"sei": "7.85"
},
"modality": null,
"molecule_chembl_id": "CHEMBL5200945",
"molecule_pref_name": null,
"parent_molecule_chembl_id": "CHEMBL5200945",
"pchembl_value": "8.91",
"potential_duplicate": 0,
"qudt_units": "http://www.openphacts.org/units/Nanomolar",
"record_id": 4060431,
"relation": "=",
"src_id": 1,
"standard_flag": 1,
"standard_relation": "=",
"standard_text_value": null,
"standard_type": "IC50",
"standard_units": "nM",
"standard_upper_value": null,
"standard_value": "1.23",
"target_chembl_id": "CHEMBL3108645",
"target_organism": "Homo sapiens",
"target_pref_name": "Histone-lysine N-methyltransferase NSD2",
"target_tax_id": "9606",
"text_value": null,
"toid": null,
"type": "IC50",
"units": "nM",
"uo_units": "UO_0000065",
"upper_value": null,
"value": "1.23"
},
"rationale": "Activity and identity available in ChEMBL, but original primary numerical table/chemical-label attribution not fully verified. Includes possible literature carry-forward rows; not counted as new independent experiments.",
"retrieval_date": "2026-10-26",
"source_database": "ChEMBL",
"source_id": "P5:S:CARLINO2024",
"source_url": "https://www.ebi.ac.uk/chembl/explore/activity/25865178",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:BINDINGDB:O96028 | Source record | target_level_discovery_only Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence. Original candidate data{
"candidate_id": "CAND:BINDINGDB:O96028",
"rationale": "Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence.",
"retrieval_date": "2026-10-26",
"row_count": 92,
"source_database": "BindingDB",
"source_url": "https://www.bindingdb.org/rest/getLigandsByUniprot?uniprot=O96028\u0026response=application/json",
"status": "target_level_discovery_only",
"uniprot": "O96028",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:BINDINGDB:Q9BZ95 | Source record | target_level_discovery_only Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence. Original candidate data{
"candidate_id": "CAND:BINDINGDB:Q9BZ95",
"rationale": "Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence.",
"retrieval_date": "2026-10-26",
"row_count": 5,
"source_database": "BindingDB",
"source_url": "https://www.bindingdb.org/rest/getLigandsByUniprot?uniprot=Q9BZ95\u0026response=application/json",
"status": "target_level_discovery_only",
"uniprot": "Q9BZ95",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:BINDINGDB:O75475 | Source record | target_level_discovery_only Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence. Original candidate data{
"candidate_id": "CAND:BINDINGDB:O75475",
"rationale": "Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence.",
"retrieval_date": "2026-10-26",
"row_count": 7,
"source_database": "BindingDB",
"source_url": "https://www.bindingdb.org/rest/getLigandsByUniprot?uniprot=O75475\u0026response=application/json",
"status": "target_level_discovery_only",
"uniprot": "O75475",
"version": "phase5.chemical_curation.1.1.0"
} |
| CAND:BINDINGDB:Q7Z4V5 | Source record | target_level_discovery_only Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence. Original candidate data{
"candidate_id": "CAND:BINDINGDB:Q7Z4V5",
"rationale": "Exact accession query, no sequence similarity transfer. Returned endpoint values lack source/construct context in this API response and may represent SET/other-domain assays. No values promoted to PWWP evidence.",
"retrieval_date": "2026-10-26",
"row_count": 0,
"source_database": "BindingDB",
"source_url": "https://www.bindingdb.org/rest/getLigandsByUniprot?uniprot=Q7Z4V5\u0026response=application/json",
"status": "target_level_discovery_only",
"uniprot": "Q7Z4V5",
"version": "phase5.chemical_curation.1.1.0"
} |
| HS13 | Source record | candidate_not_promoted Already represented as pending baseline association. Primary abstract reports Kd8.33µM, but assay-specific construct/method and full identity remain unverified; library-size conflict943/968 in publisher text versus abstract preserved. Original candidate data{
"candidate_id": "CAND:LIT:HS13",
"name": "HS13",
"rationale": "Already represented as pending baseline association. Primary abstract reports Kd8.33\u00b5M, but assay-specific construct/method and full identity remain unverified; library-size conflict943/968 in publisher text versus abstract preserved.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://doi.org/10.1016/j.bmc.2026.118751",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| HRP family fragment series | Source record | candidate_not_promoted Primary abstract and ChEMBL assay descriptions found; per-compound primary values/identity not fully verified. Original candidate data{
"candidate_id": "CAND:LIT:HRP_family_fragment_series",
"name": "HRP family fragment series",
"rationale": "Primary abstract and ChEMBL assay descriptions found; per-compound primary values/identity not fully verified.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://doi.org/10.1016/j.ejmech.2024.116960",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| XSY12 | Source record | candidate_not_promoted New2026 NSD3 hydrophobic-tag degrader lead; do not promote from abstract alone. Original candidate data{
"candidate_id": "CAND:LIT:XSY12",
"name": "XSY12",
"rationale": "New2026 NSD3 hydrophobic-tag degrader lead; do not promote from abstract alone.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://pubmed.ncbi.nlm.nih.gov/42503659/",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| LY-06 | Source record | candidate_not_promoted Current NSD3 fluorescent-ligand lead identified by independent structural audit; not yet verified. Original candidate data{
"candidate_id": "CAND:LIT:LY-06",
"name": "LY-06",
"rationale": "Current NSD3 fluorescent-ligand lead identified by independent structural audit; not yet verified.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://pubmed.ncbi.nlm.nih.gov/41820229/",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| NSD2-LDD | Source record | candidate_not_promoted Current NSD2 degrader lead; source/construct/chemical identity verification pending. Original candidate data{
"candidate_id": "CAND:LIT:NSD2-LDD",
"name": "NSD2-LDD",
"rationale": "Current NSD2 degrader lead; source/construct/chemical identity verification pending.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://doi.org/10.1182/blood.2025031998",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| UNC10415667 / UNC10088 | Source record | candidate_not_promoted Current structural recruitment study; pending exact assay/identity/ligand-instance reconciliation. Original candidate data{
"candidate_id": "CAND:LIT:UNC10415667_/_UNC10088",
"name": "UNC10415667 / UNC10088",
"rationale": "Current structural recruitment study; pending exact assay/identity/ligand-instance reconciliation.",
"retrieval_date": "2026-10-26",
"source_database": "primary literature",
"source_url": "https://www.nature.com/articles/s41467-026-72235-9",
"status": "candidate_not_promoted",
"version": "phase5.chemical_curation.1.1.0"
} |
| MR927 | See candidate record | excluded_unverified_name Exact-name searches combined with PWWP/NSD2 did not recover primary evidence. Do not silently substitute MR837 or assert identity. This is a scoped search result, not proof of nonexistence. Original candidate data{
"candidate_id": "CAND:NAME:MR927",
"name": "MR927",
"queries": [
"\"MR927\" PWWP",
"\"MR927\" inhibitor NSD2"
],
"rationale": "Exact-name searches combined with PWWP/NSD2 did not recover primary evidence. Do not silently substitute MR837 or assert identity. This is a scoped search result, not proof of nonexistence.",
"retrieval_date": "2026-10-26",
"status": "excluded_unverified_name",
"version": "phase5.chemical_curation.1.1.0"
} |