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Assay Detail

CHEMBL5732037

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Binding
Known Inhibitors of Carbonic Anhydrase: Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), 199-229, 2004. Methods for determining the carbonic anhydrase inhibitory activity of a compound, i.e. whether a compound can be classified as a CAI, are known in the art and may usefully identify further compounds which may be suitable for use in the present invention. Exemplary methods and levels of activity required for consideration as CAIs are described in US 20020022245 and the references cited therein, the contents of which are incorporated herein by reference, in particular Supuran et al, European Journal of Medicinal Chemistry, 1998, 33, 577-594 and Scozzafava et al, Journal of Medicinal Chemistry, 1999, 42 25, 3690-3700).
33
Total Activities
11
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Insulin sensitisers and methods of treatment
(2019)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 7.34 8.10
kon 11 - -
k_off 11 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL18 ETHOXZOLAMIDE 4.0 3 8.10
CHEMBL269001 3 8.05
CHEMBL20 ACETAZOLAMIDE 4.0 3 7.92
CHEMBL19 METHAZOLAMIDE 4.0 3 7.85
CHEMBL750 ZONISAMIDE 4.0 3 7.46
CHEMBL17 DICHLORPHENAMIDE 4.0 3 7.42
CHEMBL26 SULPIRIDE 3.0 3 7.40
CHEMBL35 FUROSEMIDE 4.0 3 7.10
CHEMBL1055 CHLORTHALIDONE 4.0 3 6.58
CHEMBL6705 3 6.53
CHEMBL842 CHLOROTHIAZIDE 4.0 3 6.34

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL18 ETHOXZOLAMIDE IC50 = 8.0 nM 8.10
CHEMBL269001 IC50 = 9.0 nM 8.05
CHEMBL20 ACETAZOLAMIDE IC50 = 12.0 nM 7.92
CHEMBL19 METHAZOLAMIDE IC50 = 14.0 nM 7.85
CHEMBL750 ZONISAMIDE IC50 = 35.0 nM 7.46
CHEMBL17 DICHLORPHENAMIDE IC50 = 38.0 nM 7.42
CHEMBL26 SULPIRIDE IC50 = 40.0 nM 7.40
CHEMBL35 FUROSEMIDE IC50 = 80.0 nM 7.10
CHEMBL1055 CHLORTHALIDONE IC50 = 260.0 nM 6.58
CHEMBL6705 IC50 = 295.0 nM 6.53
CHEMBL842 CHLOROTHIAZIDE IC50 = 460.0 nM 6.34
CHEMBL35 FUROSEMIDE k_off = - s-1 -
CHEMBL6705 k_off = - s-1 -
CHEMBL6705 kon = - -
CHEMBL19 METHAZOLAMIDE k_off = - s-1 -
CHEMBL19 METHAZOLAMIDE kon = - -
CHEMBL26 SULPIRIDE k_off = - s-1 -
CHEMBL26 SULPIRIDE kon = - -
CHEMBL750 ZONISAMIDE k_off = - s-1 -
CHEMBL750 ZONISAMIDE kon = - -
CHEMBL17 DICHLORPHENAMIDE k_off = - s-1 -
CHEMBL17 DICHLORPHENAMIDE kon = - -
CHEMBL842 CHLOROTHIAZIDE kon = - -
CHEMBL842 CHLOROTHIAZIDE k_off = - s-1 -
CHEMBL20 ACETAZOLAMIDE k_off = - s-1 -
CHEMBL20 ACETAZOLAMIDE kon = - -
CHEMBL269001 k_off = - s-1 -
CHEMBL269001 kon = - -
CHEMBL35 FUROSEMIDE kon = - -
CHEMBL18 ETHOXZOLAMIDE kon = - -
CHEMBL1055 CHLORTHALIDONE k_off = - s-1 -
CHEMBL1055 CHLORTHALIDONE kon = - -
CHEMBL18 ETHOXZOLAMIDE k_off = - s-1 -