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Assay Detail

CHEMBL659851

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Binding
Dissociation constant was reported against Carbonic anhydrase II
11
Total Activities
11
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 2 (CHEMBL205)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
Grüneberg S, Stubbs MT, Klebe G.
J Med Chem (2002) 45 : 3588 -3602
PubMed 12166932 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 11 8.82 9.36

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL333281 1 9.36
CHEMBL417975 SEZOLAMIDE 2.0 1 9.20
CHEMBL333520 1 8.96
CHEMBL120418 1 8.94
CHEMBL105080 1 8.91
CHEMBL475 N-DESETHYL DORZOLAMIDE 1 8.82
CHEMBL120046 1 8.80
CHEMBL273822 1 8.73
CHEMBL67511 TRIFLUOROMETHANESULFONAMIDE 1 8.70
CHEMBL333193 1 8.48
CHEMBL421060 1 8.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL333281 Ki = 0.44 nM 9.36
CHEMBL417975 SEZOLAMIDE Ki = 0.635 nM 9.20
CHEMBL333520 Ki = 1.1 nM 8.96
CHEMBL120418 Ki = 1.15 nM 8.94
CHEMBL105080 Ki = 1.24 nM 8.91
CHEMBL475 N-DESETHYL DORZOLAMIDE Ki = 1.52 nM 8.82
CHEMBL120046 Ki = 1.58 nM 8.80
CHEMBL273822 Ki = 1.88 nM 8.73
CHEMBL67511 TRIFLUOROMETHANESULFONAMIDE Ki = 2.0 nM 8.70
CHEMBL333193 Ki = 3.3 nM 8.48
CHEMBL421060 Ki = 7.0 nM 8.15