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Assay Detail

CHEMBL3760248

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Binding
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay
26
Total Activities
26
Compounds Tested
1
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

Thioxocoumarins Show an Alternative Carbonic Anhydrase Inhibition Mechanism Compared to Coumarins.
Ferraroni M, Carta F, Scozzafava A, Supuran CT.
J Med Chem (2016) 59 : 462 -473
PubMed 26688270 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 26 4.91 6.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL20 ACETAZOLAMIDE 4.0 1 6.70
CHEMBL6466 COUMARIN 4.0 1 5.51
CHEMBL1957177 1 5.14
CHEMBL1957182 1 5.12
CHEMBL1957176 1 5.12
CHEMBL1955879 1 5.10
CHEMBL1957179 1 5.09
CHEMBL1957178 1 5.08
CHEMBL1957181 1 5.07
CHEMBL1957175 1 5.06
CHEMBL1957183 1 5.03
CHEMBL1957172 1 4.52
CHEMBL1957180 1 4.37
CHEMBL51628 UMBELLIFERONE 1 4.23
CHEMBL432745 7-ALLYLOXYCOUMARIN 1 4.14
CHEMBL308819 1 4.14
CHEMBL301141 4-HYDROXYCOUMARINS 1 4.02
CHEMBL243263 6-HYDROXYCOUMARIN 1 -
CHEMBL3759932 1 -
CHEMBL3760092 1 -
CHEMBL3758522 1 -
CHEMBL3623663 1 -
CHEMBL3758827 1 -
CHEMBL3121782 1 -
CHEMBL3760055 1 -
CHEMBL3759409 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL20 ACETAZOLAMIDE Ki = 200.0 nM 6.70
CHEMBL6466 COUMARIN Ki = 3100.0 nM 5.51
CHEMBL1957177 Ki = 7170.0 nM 5.14
CHEMBL1957182 Ki = 7600.0 nM 5.12
CHEMBL1957176 Ki = 7570.0 nM 5.12
CHEMBL1955879 Ki = 8020.0 nM 5.10
CHEMBL1957179 Ki = 8180.0 nM 5.09
CHEMBL1957178 Ki = 8320.0 nM 5.08
CHEMBL1957181 Ki = 8510.0 nM 5.07
CHEMBL1957175 Ki = 8780.0 nM 5.06
CHEMBL1957183 Ki = 9240.0 nM 5.03
CHEMBL1957172 Ki = 30300.0 nM 4.52
CHEMBL1957180 Ki = 43200.0 nM 4.37
CHEMBL51628 UMBELLIFERONE Ki = 58400.0 nM 4.23
CHEMBL432745 7-ALLYLOXYCOUMARIN Ki = 72900.0 nM 4.14
CHEMBL308819 Ki = 72000.0 nM 4.14
CHEMBL301141 4-HYDROXYCOUMARINS Ki = 95000.0 nM 4.02
CHEMBL243263 6-HYDROXYCOUMARIN Ki > 100000.0 nM -
CHEMBL3759932 Ki > 100000.0 nM -
CHEMBL3760092 Ki > 100000.0 nM -
CHEMBL3758522 Ki = 950000.0 nM -
CHEMBL3623663 Ki > 200000.0 nM -
CHEMBL3758827 Ki > 200000.0 nM -
CHEMBL3121782 Ki = 124000.0 nM -
CHEMBL3760055 Ki > 200000.0 nM -
CHEMBL3759409 Ki > 100000.0 nM -