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CA2 · ChEMBL activity 2393950

Ki source measurement: = 2.61 uM. No cross-assay comparison is prequalified.

Assay activity2393950Admitted release record

Source assertion

ChEMBL direct single-protein activity record with source-reported and source-standardized lexical values preserved.
Evidence ID
ACTIVITY:ChEMBL_37:2393950
Subject dossier
ca2
Source chain
uniprot + chembl
Upstream record
2393950
Corpus snapshot
2026-07-14T09:23:31Z
Admission status
Admitted release record

Lossless activity measurement

Source-reported value
= 2.61 uM
Source-standardized value
= 2610.0 nM
Reported endpoint
Ki
Standardized endpoint
Ki
Reported upper bound
not reported in admitted source fields
Reported text value
not reported in admitted source fields
Standardization flag
1
pChEMBL from source
5.58

Reported and source-standardized fields are displayed separately and retain their exact lexical values. The standardized field does not overwrite the upstream report.

Record-local comparison refusalCONDITION_MISSING

No cross-assay comparison is authorized by this record. Evaluate target, construct, endpoint, relation, units, assay format, conditions, and exact molecular form first.

Assay and target

ChEMBL activity
2393950
Target
CHEMBL205 · SINGLE PROTEIN
Assay
CHEMBL1005300 · Binding (B)
BAO format
BAO_0000357 · single protein format
BAO endpoint
BAO_0000192
Target confidence
9 · Direct single protein target assigned
Source quality flags
potential_duplicate=0 · data_validity_comment=not reported in admitted source fields
Upstream assay description

Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay

Compound identity

Molecule
CHEMBL453731 · not reported in admitted source fields
Parent form
CHEMBL453731 · is_parent_form=true
Molecule type
Small molecule
Chirality source code
-1
Standard InChIKey
FHLMWCQAIOTWHF-UHFFFAOYSA-N
Canonical SMILES
NS(=O)(=O)c1ccc(CNC(=O)NC2CC2c2ccccc2)cc1
Standard InChI
InChI=1S/C17H19N3O3S/c18-24(22,23)14-8-6-12(7-9-14)11-19-17(21)20-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H2,18,22,23)(H2,19,20,21)

Document

Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.

Thiry A, Ledecq M, Cecchi A, Frederick R, Dogné JM, Supuran CT, Wouters J, Masereel B.

ChEMBL document
CHEMBL1140874
Journal / year
Bioorg Med Chem · 2009
PubMed
19097911

Comparison state

Prequalified
No — pairwise evaluation is still required
Protein identity
P00918 · taxon 9606
Variant / construct
not reported in admitted source fields / not reported in admitted source fields
Conditions
pH not reported in admitted source fields · temperature not reported in admitted source fields °C · substrate not reported in admitted source fields · buffer not reported in admitted source fields

Snapshot provenance

Each retained corpus build input is identified by retrieval time, snapshot path, SHA-256 digest, and exact upstream request. The snapshot files are not embedded in the served binary; the provenance identifiers remain dependencies of this one admitted record, not interchangeable citations.

RetrievedSnapshotSHA-256Upstream request
2026-07-14T09:21:31Zraw/uniprot/entries/P00918.jsoned44906dd1b976f4c8b0399e9e3a7a4af09b673c035a201e218a4880821c1179Open exact source
2026-07-14T09:22:21Zraw/chembl/targets/CHEMBL205.jsona72211a98500a9ee255af420c327df455642440f828570896f227f637ac4d991Open exact source
2026-07-14T09:22:24Zraw/chembl/direct-assays/CHEMBL205.jsond77687649ad2c1120e6590de641bdef7dd078d9d00a04b12d1196c7031cceb65Open exact source
2026-07-14T09:22:51Zraw/chembl/assay-activities/CHEMBL1005300.json511a25bfac2313b1d52583bbb4eb8db29ac7b6d99b4f3fd44d1d43484854ff41Open exact source
2026-07-14T09:23:18Zraw/chembl/activities/2393950.json14c2394dc399a489591bf38b91dafc2259a2ce81e6ed19843e8c23c6899a652fOpen exact source
2026-07-14T09:23:17Zraw/chembl/assays/CHEMBL1005300.jsone895049b7bebd164377fef0f20a57e7610616676f31d81bdd3f16f7de147dedaOpen exact source
2026-07-14T09:23:16Zraw/chembl/molecules/CHEMBL453731.jsonac2ac067201795f30cf5d7d71f2cac144d0f7f2954ffc4585155a32b5ed1bd4aOpen exact source
2026-07-14T09:23:16Zraw/chembl/documents/CHEMBL1140874.json5a0de2f553e1e104a2657499ea9fd3e4827f85a6189b4b635842b43fa81c864eOpen exact source