STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments
Experimental preparationIdentity not assigned

Measurements remain attached to the reported preparation.

Reported experimental preparation

MS9715N

Studied · no deposited PWWP research ligandExperimental controlPreparation identity unresolved

Distinct VHL-ligand diastereomer of MS9715, source defines changed VHL stereocenters. No exact identity assigned by name-only matching. Retains measurable NSD3-PWWP1 binding; negative control applies to productive degradation.

2 assay / association records1 preparations0 research-ligand PDB entries

No deposited PWWP research-ligand geometry is classified for this preparation in the selected release. Deposition of a buffer/ion is not binding evidence.

Clinical / development status: Not independently curated. A chemical probe classification does not imply medicinal approval.

Identity is separate from preparation

Chemical identity

Measured target and original context

Bioactivity & experimental observations

Download assay CSV

Each row is one source-specific observation. Repeated measurements of this compound are not independent compounds. Direct binding, functional displacement and cellular outcomes retain their distinct endpoints.

PreparationTested target & constructMethod / endpointOriginal observationConditions & uncertaintySource & verification
MS9715NPREP:MS9715N NSD3 PWWP1
247–402Homo sapiens
KdITC Kddirect binding affinity = 1.62 ± 0.33 µM1.62 µM · exact unit conversion
Experimental context
Replicates
2 independent measurements
Uncertainty definition
SD
Temperature
15 °C
Buffer
50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP
Conditions
{'buffer': '50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP', 'compound_syringe_concentration_uM': 200, 'construct': 'NSD3 247–402 in pNICBio2, E. coli expressed', 'first_injection_removed': True, 'model': 'single binding site', 'pH': 6.8, 'protein_concentration_uM': 20, 'temperature_C': 15}
Qualification
Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.
PMID:34469831 · 2022NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected
Original observation record
{
  "DMSO_percent": 1,
  "assay_construct_end": 402,
  "assay_construct_start": 247,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0003",
  "assay_type": "ITC Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "MS9715N",
  "conditions": {
    "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP",
    "compound_syringe_concentration_uM": 200,
    "construct": "NSD3 247\u2013402 in pNICBio2, E. coli expressed",
    "first_injection_removed": true,
    "model": "single binding site",
    "pH": 6.8,
    "protein_concentration_uM": 20,
    "temperature_C": 15
  },
  "domain": "PWWP1",
  "domain_id": "UP:Q9BZ95:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pH": 6.8,
  "pdb_id": null,
  "preparation_id": "PREP:MS9715N",
  "protein_id": "UP:Q9BZ95",
  "publication_year": 2022,
  "reference_id": "PMID:34469831",
  "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
  "replicates": "2 independent measurements",
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:XU2022",
  "source_reported_uncertainty": "0.33",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "1.62",
  "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
  "temperature_C": 15,
  "uncertainty": 0.33,
  "uncertainty_type": "SD",
  "uncertainty_uM": 0.33,
  "units": "\u00b5M",
  "value": 1.62,
  "value_operator": "=",
  "value_uM": 1.62,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
MS9715NPREP:MS9715N NSD3 · protein-level evidence
Construct not curatedHomo sapiens
qualitativeImmunoblot degradation controlqualitative control No NSD3 depletion observed in the matched control comparison.
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
{'cell_lines': ['EOL-1', 'MM1.S'], 'duration_hours': 48}
Qualification
Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.
PMID:34469831 · 2022NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected
Original observation record
{
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "cellular_full_protein",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0006",
  "assay_type": "Immunoblot degradation control",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": null,
  "compound_name": "MS9715N",
  "conditions": {
    "cell_lines": [
      "EOL-1",
      "MM1.S"
    ],
    "duration_hours": 48
  },
  "domain": null,
  "domain_id": null,
  "endpoint": "qualitative",
  "evidence_class": "qualitative_control",
  "evidence_location": "Results; Figure 3A-B; Figure S1C-D",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "gene": "NSD3",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "negative_control_scope": "Productive VHL recruitment and degradation; retains direct NSD3-PWWP1 binding",
  "numeric_transcription_status": "qualitative_or_not_reported",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:MS9715N",
  "protein_id": "UP:Q9BZ95",
  "publication_year": 2022,
  "qualitative_result": "No NSD3 depletion observed in the matched control comparison.",
  "reference_id": "PMID:34469831",
  "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:XU2022",
  "source_reported_uncertainty": null,
  "source_reported_units": null,
  "source_reported_value": null,
  "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
  "uncertainty": null,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "units": null,
  "value": null,
  "value_operator": null,
  "value_uM": null,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}

Exact deposited instances

Experimental structures

No verified exact-identity bound structure

The biochemical or cellular evidence remains fully available. No artificial pose has been assigned.

Preparations, identities and controls remain separate

Experimental context

MS9715N

PREP:MS9715N

Distinct VHL-ligand diastereomer of MS9715, source defines changed VHL stereocenters. No exact identity assigned by name-only matching. Retains measurable NSD3-PWWP1 binding; negative control applies to productive degradation.

negative control
Complete preparation record
{
  "chemical_id": null,
  "clinical_status": "not independently assessed",
  "curation_version": "phase5-1.0.0",
  "entity_type": "small_molecule_preparation",
  "identity_note": "Distinct VHL-ligand diastereomer of MS9715, source defines changed VHL stereocenters. No exact identity assigned by name-only matching. Retains measurable NSD3-PWWP1 binding; negative control applies to productive degradation.",
  "identity_status": "paper_label_exact_identity_unresolved",
  "molecular_entity_type": "small_molecule_preparation",
  "name": "MS9715N",
  "phase5_identity_overlay": false,
  "preparation_id": "PREP:MS9715N",
  "retrieval_date": "2026-10-26",
  "role": "negative_control",
  "source_id": "P5:S:XU2022",
  "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
  "version": "phase5.chemical_curation.1.1.0"
}

Source-supported relationships

RelationshipRelated identity / preparationScopeSource
negative control forMS9715VHL-dependent degradation control; preserves NSD3-PWWP1 affinitySource

Provenance and reproducibility

Sources & downloads

Snapshot 2026-10-26 · phase5-1.0.0 · original measurements, operators, constructs and uncertainty are retained in the exports.