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CA13 · ChEMBL activity 3380039

Ki source measurement: = 79.0 nM. No cross-assay comparison is prequalified.

Assay activity3380039Admitted release record

Source assertion

ChEMBL direct single-protein activity record with source-reported and source-standardized lexical values preserved.
Evidence ID
ACTIVITY:ChEMBL_37:3380039
Subject dossier
ca13
Source chain
uniprot + chembl
Upstream record
3380039
Corpus snapshot
2026-07-14T09:23:31Z
Admission status
Admitted release record

Lossless activity measurement

Source-reported value
= 79.0 nM
Source-standardized value
= 79.0 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
7.10

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
3380039
Target
CHEMBL3912 · SINGLE PROTEIN
Assay
CHEMBL1211832 · 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 carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay

Compound identity

Molecule
CHEMBL265674 · not reported in admitted source fields
Parent form
CHEMBL265674 · is_parent_form=true
Molecule type
Small molecule
Chirality source code
-1
Standard InChIKey
VGMVBPQOACUDRU-UHFFFAOYSA-N
Canonical SMILES
Nc1nnc(S(N)(=O)=O)s1
Standard InChI
InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)

Document

Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.

Avvaru BS, Wagner JM, Maresca A, Scozzafava A, Robbins AH, Supuran CT, McKenna R.

ChEMBL document
CHEMBL1208748
Journal / year
Bioorg Med Chem Lett · 2010
PubMed
20605094

Comparison state

Prequalified
No — pairwise evaluation is still required
Protein identity
Q8N1Q1 · 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
2026-07-14T09:21:33Zraw/uniprot/entries/Q8N1Q1.json606f7712a41abd05d3b9d0522bbefd377f44b400f37aba7cab2c788361ea41ddOpen exact source
2026-07-14T09:22:20Zraw/chembl/targets/CHEMBL3912.json25c5e2a15ee4b3b77c80ce3f132ac5e1bb083da98ac008a4a0af7dcac97dc1b5Open exact source
2026-07-14T09:22:47Zraw/chembl/direct-assays/CHEMBL3912.json1b69e1b7672728589a0f96e68c5abf7840e50b3d7b09f9d1ef52048e47d6afbaOpen exact source
2026-07-14T09:23:11Zraw/chembl/assay-activities/CHEMBL1211832.json0781b05b1c7fce87cbc566935a212142fded04c62fb215386a5283906560849cOpen exact source
2026-07-14T09:23:29Zraw/chembl/activities/3380039.jsonc9f76c3c3099dff03c445ee5430d80cff9f8f76c631d0d4ec5497aef5b163c6cOpen exact source
2026-07-14T09:23:29Zraw/chembl/assays/CHEMBL1211832.jsona89e00927eb9c1a024d775c4c9cf0fde450e296056f1704cd2e93371a1a61d9cOpen exact source
2026-07-14T09:23:29Zraw/chembl/molecules/CHEMBL265674.jsond514334e92a90749ccd75182795d2562be3f06ca1ca251ec94ecc5df51e0d9a1Open exact source
2026-07-14T09:23:30Zraw/chembl/documents/CHEMBL1208748.json5f7eed6b4a7087fa31086dcabc905a54bf6fd36ae509ad29a3e77e4d2d4e0f43Open exact source