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Assay Detail

CHEMBL662728

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Binding
Inhibitory effect on human carbonic anhydrase I
33
Total Activities
33
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: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties.
Masereel B, Rolin S, Abbate F, Scozzafava A, Supuran CT.
J Med Chem (2002) 45 : 312 -320
PubMed 11784136 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 33 6.42 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL109151 1 8.52
CHEMBL108380 1 8.30
CHEMBL111216 1 8.26
CHEMBL108982 1 8.15
CHEMBL281376 1 7.42
CHEMBL108381 1 7.30
CHEMBL320711 1 7.30
CHEMBL326036 1 7.30
CHEMBL326240 1 7.21
CHEMBL419553 1 7.16
CHEMBL23579 1 6.96
CHEMBL220492 TOPIRAMATE 4.0 1 6.60
CHEMBL108502 1 6.58
CHEMBL111504 1 6.44
CHEMBL322589 1 6.34
CHEMBL109142 1 6.26
CHEMBL111360 1 6.22
CHEMBL19 METHAZOLAMIDE 4.0 1 6.11
CHEMBL419188 1 6.10
CHEMBL108971 1 6.07
CHEMBL20 ACETAZOLAMIDE 4.0 1 6.05
CHEMBL111336 1 6.05
CHEMBL107989 1 6.02
CHEMBL324906 1 6.01
CHEMBL108389 1 6.00
CHEMBL419006 1 5.89
CHEMBL107722 1 5.82
CHEMBL111245 1 5.46
CHEMBL432626 1 5.43
CHEMBL109153 1 4.72

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL109151 Ki = 3.0 nM 8.52
CHEMBL108380 Ki = 5.0 nM 8.30
CHEMBL111216 Ki = 5.5 nM 8.26
CHEMBL108982 Ki = 7.0 nM 8.15
CHEMBL281376 Ki = 38.0 nM 7.42
CHEMBL108381 Ki = 50.0 nM 7.30
CHEMBL320711 Ki = 50.0 nM 7.30
CHEMBL326036 Ki = 50.0 nM 7.30
CHEMBL326240 Ki = 62.0 nM 7.21
CHEMBL419553 Ki = 70.0 nM 7.16
CHEMBL23579 Ki = 110.0 nM 6.96
CHEMBL220492 TOPIRAMATE Ki = 250.0 nM 6.60
CHEMBL108502 Ki = 260.0 nM 6.58
CHEMBL111504 Ki = 360.0 nM 6.44
CHEMBL322589 Ki = 460.0 nM 6.34
CHEMBL109142 Ki = 550.0 nM 6.26
CHEMBL111360 Ki = 600.0 nM 6.22
CHEMBL19 METHAZOLAMIDE Ki = 780.0 nM 6.11
CHEMBL419188 Ki = 800.0 nM 6.10
CHEMBL108971 Ki = 850.0 nM 6.07
CHEMBL20 ACETAZOLAMIDE Ki = 900.0 nM 6.05
CHEMBL111336 Ki = 900.0 nM 6.05
CHEMBL107989 Ki = 950.0 nM 6.02
CHEMBL324906 Ki = 970.0 nM 6.01
CHEMBL108389 Ki = 1000.0 nM 6.00
CHEMBL419006 Ki = 1300.0 nM 5.89
CHEMBL107722 Ki = 1500.0 nM 5.82
CHEMBL111245 Ki = 3500.0 nM 5.46
CHEMBL432626 Ki = 3700.0 nM 5.43
CHEMBL109153 Ki = 19000.0 nM 4.72
CHEMBL111074 Ki = 22500.0 nM 4.65
CHEMBL325321 Ki = 23000.0 nM 4.64
CHEMBL322581 Ki = 35600.0 nM 4.45