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Assay Detail

CHEMBL1044461

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Binding
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Carbonic anhydrase 13 (CHEMBL2186)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.
Maresca A, Temperini C, Pochet L, Masereel B, Scozzafava A, Supuran CT.
J Med Chem (2010) 53 : 335 -344
PubMed 19911821 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 21 5.65 7.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL12567 1 7.35
CHEMBL568385 1 7.35
CHEMBL571738 1 7.33
CHEMBL568173 1 7.33
CHEMBL578167 1 7.03
CHEMBL568417 1 5.51
CHEMBL191528 ETHOXYCOUMARIN 1 5.31
CHEMBL571519 1 5.25
CHEMBL571514 7-BUTOXYCOUMARIN 1 5.21
CHEMBL567139 1 5.19
CHEMBL568516 7-PROPOXYCOUMARIN 1 5.18
CHEMBL568348 1 5.18
CHEMBL577123 1 5.16
CHEMBL567544 1 5.14
CHEMBL145781 7-BENZYLOXYCOUMARIN 1 5.14
CHEMBL567896 1 5.13
CHEMBL568416 1 5.09
CHEMBL49732 HERNIARIN 1 5.05
CHEMBL6466 COUMARIN 4.0 1 5.04
CHEMBL572366 1 5.00
CHEMBL83294 COUMARIN-3-CARBOXYLIC ACID 1 4.69

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL12567 Ki = 45.0 nM 7.35
CHEMBL568385 Ki = 45.0 nM 7.35
CHEMBL571738 Ki = 47.0 nM 7.33
CHEMBL568173 Ki = 47.0 nM 7.33
CHEMBL578167 Ki = 93.0 nM 7.03
CHEMBL568417 Ki = 3100.0 nM 5.51
CHEMBL191528 ETHOXYCOUMARIN Ki = 4900.0 nM 5.31
CHEMBL571519 Ki = 5600.0 nM 5.25
CHEMBL571514 7-BUTOXYCOUMARIN Ki = 6100.0 nM 5.21
CHEMBL567139 Ki = 6500.0 nM 5.19
CHEMBL568516 7-PROPOXYCOUMARIN Ki = 6600.0 nM 5.18
CHEMBL568348 Ki = 6600.0 nM 5.18
CHEMBL577123 Ki = 6900.0 nM 5.16
CHEMBL567544 Ki = 7300.0 nM 5.14
CHEMBL145781 7-BENZYLOXYCOUMARIN Ki = 7300.0 nM 5.14
CHEMBL567896 Ki = 7400.0 nM 5.13
CHEMBL568416 Ki = 8100.0 nM 5.09
CHEMBL49732 HERNIARIN Ki = 8900.0 nM 5.05
CHEMBL6466 COUMARIN Ki = 9200.0 nM 5.04
CHEMBL572366 Ki = 9900.0 nM 5.00
CHEMBL83294 COUMARIN-3-CARBOXYLIC ACID Ki = 20300.0 nM 4.69