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DraconiticBiochemistryBiomolecules · Catabolism · Biosynthesis · Metabolism
Data

CA13 · ChEMBL activity 3380039

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

Assay activity3380039In this release

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
In this release

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 by the source
Reported text value
not reported by the source
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.

Not comparable with other recordsCONDITION_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 by the source
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 by the source
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 by the source / not reported by the source
Conditions
pH not reported by the source; temperature not reported by the source °C; substrate not reported by the source; buffer not reported by the source

Snapshot provenance

Each row is a source snapshot this record was built from: when it was retrieved, its path and SHA-256 digest, and the exact request. The snapshot files stay with the build and are not served here. These rows document this record; they are not general 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