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Assay Detail

CHEMBL653166

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Binding
Inhibition of human recombinant carbonic anhydrase I
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Carbonic anhydrase 1 (CHEMBL261)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Carbonic anhydrase inhibitors. Inhibition of cytosolic isozymes I and II and transmembrane, tumor-associated isozyme IX with sulfamates including EMATE also acting as steroid sulfatase inhibitors.
Winum JY, Vullo D, Casini A, Montero JL, Scozzafava A, Supuran CT.
J Med Chem (2003) 46 : 2197 -2204
PubMed 12747791 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 31 7.16 8.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL24259 PHENYLSULFAMATE 1 8.68
CHEMBL24261 OCTYL SULFAMATE 1 8.46
CHEMBL24210 1 8.42
CHEMBL23350 1 8.34
CHEMBL221802 1 8.22
CHEMBL283121 1 8.14
CHEMBL24120 1 8.02
CHEMBL220493 1 7.82
CHEMBL18 ETHOXZOLAMIDE 4.0 1 7.60
CHEMBL544763 1 7.55
CHEMBL71371 1 7.51
CHEMBL71872 1 7.48
CHEMBL68590 1 7.43
CHEMBL122708 EMATE 1 7.43
CHEMBL23258 1 7.40
CHEMBL69948 1 7.37
CHEMBL67749 1 6.99
CHEMBL68257 1 6.98
CHEMBL417287 1 6.95
CHEMBL69322 1 6.94
CHEMBL220492 TOPIRAMATE 4.0 1 6.60
CHEMBL302593 1 6.56
CHEMBL71549 1 6.50
CHEMBL303601 1 6.43
CHEMBL68536 PERFLUOROPHENYL SULFAMATE 1 6.38
CHEMBL71873 SULFAMIC ACID PENTACHLOROPHENYL ESTER 1 6.37
CHEMBL303942 1 6.34
CHEMBL24119 1 6.32
CHEMBL19 METHAZOLAMIDE 4.0 1 6.11
CHEMBL20 ACETAZOLAMIDE 4.0 1 6.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL24259 PHENYLSULFAMATE Ki = 2.1 nM 8.68
CHEMBL24261 OCTYL SULFAMATE Ki = 3.5 nM 8.46
CHEMBL24210 Ki = 3.8 nM 8.42
CHEMBL23350 Ki = 4.6 nM 8.34
CHEMBL221802 Ki = 6.0 nM 8.22
CHEMBL283121 Ki = 7.3 nM 8.14
CHEMBL24120 Ki = 9.5 nM 8.02
CHEMBL220493 Ki = 15.0 nM 7.82
CHEMBL18 ETHOXZOLAMIDE Ki = 25.0 nM 7.60
CHEMBL544763 Ki = 28.0 nM 7.55
CHEMBL71371 Ki = 31.0 nM 7.51
CHEMBL71872 Ki = 33.0 nM 7.48
CHEMBL68590 Ki = 37.0 nM 7.43
CHEMBL122708 EMATE Ki = 37.0 nM 7.43
CHEMBL23258 Ki = 40.0 nM 7.40
CHEMBL69948 Ki = 43.0 nM 7.37
CHEMBL67749 Ki = 103.0 nM 6.99
CHEMBL68257 Ki = 105.0 nM 6.98
CHEMBL417287 Ki = 113.0 nM 6.95
CHEMBL69322 Ki = 115.0 nM 6.94
CHEMBL220492 TOPIRAMATE Ki = 250.0 nM 6.60
CHEMBL302593 Ki = 278.0 nM 6.56
CHEMBL71549 Ki = 315.0 nM 6.50
CHEMBL303601 Ki = 369.0 nM 6.43
CHEMBL68536 PERFLUOROPHENYL SULFAMATE Ki = 415.0 nM 6.38
CHEMBL71873 SULFAMIC ACID PENTACHLOROPHENYL ESTER Ki = 432.0 nM 6.37
CHEMBL303942 Ki = 454.0 nM 6.34
CHEMBL24119 Ki = 480.0 nM 6.32
CHEMBL19 METHAZOLAMIDE Ki = 780.0 nM 6.11
CHEMBL20 ACETAZOLAMIDE Ki = 900.0 nM 6.05
CHEMBL68253 SULFAMATE Ki = 21000.0 nM 4.68