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Assay Detail

CHEMBL3767074

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
35
Total Activities
34
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 2 (CHEMBL205)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Anion inhibition studies of the β-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.
Vullo D, Del Prete S, De Luca V, Carginale V, Ferraroni M, Dedeoglu N, Osman SM, AlOthman Z, Capasso C, Supuran CT.
Bioorg Med Chem Lett (2016) 26 : 1406 -1410
PubMed 26853167 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 35 4.47 5.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1207991 CARBONOTRITHIOIC ACID 1 5.06
CHEMBL183419 CYANIDE 1 4.70
CHEMBL1161700 CYANATE 1 4.52
CHEMBL1200739 HYDROGEN SULFIDE 1 4.40
CHEMBL1208163 1 4.08
CHEMBL2079226 ISOSELENOCYANATE 1 4.07
CHEMBL1362 FLUORIDE ION 3.0 1 -
CHEMBL1207889 1 -
CHEMBL2097021 1 -
CHEMBL364571 PHENYLARSONIC ACID 1 -
CHEMBL2096999 1 -
CHEMBL2097011 BORAX 1 -
CHEMBL2097029 1 -
CHEMBL2097025 1 -
CHEMBL961 DITIOCARB 2.0 1 -
CHEMBL572964 SULFURIC ACID -1.0 1 -
CHEMBL1161634 PERCHLORATE 1 -
CHEMBL1789400 1 -
CHEMBL1231821 HYDROCHLORIC ACID -1.0 1 -
CHEMBL1231461 BROMIDE 1 -
CHEMBL1233550 IODIDE -1.0 1 -
CHEMBL1161685 ISOTHIOCYANATE 1 -
CHEMBL79455 1 -
CHEMBL1160571 PYROPHOSPHORIC ACID 2.0 1 -
CHEMBL186200 1 -
CHEMBL1161681 NITROUS ACID 4.0 1 -
CHEMBL1161699 SULFUROUS ACID 1 -
CHEMBL2097020 1 -
CHEMBL2097002 SELENIC ACID 3.0 1 -
CHEMBL1161632 BICARBONATE 3.0 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1207991 CARBONOTRITHIOIC ACID Ki = 8800.0 nM 5.06
CHEMBL183419 CYANIDE Ki = 20000.0 nM 4.70
CHEMBL1161700 CYANATE Ki = 30000.0 nM 4.52
CHEMBL1200739 HYDROGEN SULFIDE Ki = 40000.0 nM 4.40
CHEMBL1208163 Ki = 84000.0 nM 4.08
CHEMBL2079226 ISOSELENOCYANATE Ki = 86000.0 nM 4.07
CHEMBL364571 PHENYLARSONIC ACID Ki = 49200000.0 nM -
CHEMBL21485 PHENYLBORONIC ACID Ki = 23100000.0 nM -
CHEMBL2096999 Ki = 570000.0 nM -
CHEMBL2097011 BORAX Ki = 950000.0 nM -
CHEMBL2097029 Ki = 750000.0 nM -
CHEMBL2097025 Ki = 690000.0 nM -
CHEMBL961 DITIOCARB Ki = 3100000.0 nM -
CHEMBL572964 SULFURIC ACID Ki > 200000000.0 nM -
CHEMBL1161634 PERCHLORATE Ki > 200000000.0 nM -
CHEMBL1789400 Ki > 200000000.0 nM -
CHEMBL1207889 Ki = 460000.0 nM -
CHEMBL1207990 Ki = 760000.0 nM -
CHEMBL355001 SULFAMIDE Ki = 1130000.0 nM -
CHEMBL68253 SULFAMATE Ki = 390000.0 nM -
CHEMBL2097021 Ki = 920000.0 nM -
CHEMBL2097002 SELENIC ACID Ki = 112000000.0 nM -
CHEMBL1362 FLUORIDE ION Ki > 300000000.0 nM -
CHEMBL1231821 HYDROCHLORIC ACID Ki = 200000000.0 nM -
CHEMBL1231461 BROMIDE Ki = 63000000.0 nM -
CHEMBL1233550 IODIDE Ki = 26000000.0 nM -
CHEMBL1161685 ISOTHIOCYANATE Ki = 1600000.0 nM -
CHEMBL79455 Ki = 1510000.0 nM -
CHEMBL1160571 PYROPHOSPHORIC ACID Ki = 48500000.0 nM -
CHEMBL1161632 BICARBONATE Ki = 73000000.0 nM -
CHEMBL186200 Ki = 35000000.0 nM -
CHEMBL1161681 NITROUS ACID Ki = 63000000.0 nM -
CHEMBL1161699 SULFUROUS ACID Ki = 89000000.0 nM -
CHEMBL2097020 Ki = 830000.0 nM -
CHEMBL1161632 BICARBONATE Ki = 85000000.0 nM -