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Assay Detail

CHEMBL4363584

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

Binding
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
41
Total Activities
41
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

From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction.
Kalinin S, Nocentini A, Kovalenko A, Sharoyko V, Bonardi A, Angeli A, Gratteri P, Tennikova TB, Supuran CT, Krasavin M.
Eur J Med Chem (2019) 182 : 111642 -111642
PubMed 31476557 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 41 7.80 8.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4450666 1 8.80
CHEMBL4455825 1 8.59
CHEMBL4453623 1 8.47
CHEMBL4577187 1 8.43
CHEMBL4470503 1 8.42
CHEMBL4516972 1 8.35
CHEMBL4440932 1 8.34
CHEMBL4565471 1 8.32
CHEMBL4476050 1 8.32
CHEMBL4475477 1 8.31
CHEMBL4540833 1 8.28
CHEMBL4569748 1 8.24
CHEMBL4446872 1 8.23
CHEMBL4475435 1 8.17
CHEMBL4593200 1 8.12
CHEMBL4472013 1 8.11
CHEMBL4577408 1 8.10
CHEMBL4457120 1 8.07
CHEMBL4464496 1 8.06
CHEMBL4586855 1 8.05
CHEMBL4521611 1 8.02
CHEMBL20 ACETAZOLAMIDE 4.0 1 7.92
CHEMBL4550339 1 7.88
CHEMBL4538471 1 7.74
CHEMBL4440330 1 7.70
CHEMBL4573177 1 7.58
CHEMBL4444078 1 7.55
CHEMBL4543874 1 7.52
CHEMBL4462700 1 7.49
CHEMBL4461778 1 7.46

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4450666 Ki = 1.6 nM 8.80
CHEMBL4455825 Ki = 2.6 nM 8.59
CHEMBL4453623 Ki = 3.4 nM 8.47
CHEMBL4577187 Ki = 3.7 nM 8.43
CHEMBL4470503 Ki = 3.8 nM 8.42
CHEMBL4516972 Ki = 4.5 nM 8.35
CHEMBL4440932 Ki = 4.6 nM 8.34
CHEMBL4565471 Ki = 4.8 nM 8.32
CHEMBL4476050 Ki = 4.8 nM 8.32
CHEMBL4475477 Ki = 4.9 nM 8.31
CHEMBL4540833 Ki = 5.2 nM 8.28
CHEMBL4569748 Ki = 5.8 nM 8.24
CHEMBL4446872 Ki = 5.9 nM 8.23
CHEMBL4475435 Ki = 6.7 nM 8.17
CHEMBL4593200 Ki = 7.5 nM 8.12
CHEMBL4472013 Ki = 7.8 nM 8.11
CHEMBL4577408 Ki = 7.9 nM 8.10
CHEMBL4457120 Ki = 8.5 nM 8.07
CHEMBL4464496 Ki = 8.7 nM 8.06
CHEMBL4586855 Ki = 8.9 nM 8.05
CHEMBL4521611 Ki = 9.5 nM 8.02
CHEMBL20 ACETAZOLAMIDE Ki = 12.0 nM 7.92
CHEMBL4550339 Ki = 13.3 nM 7.88
CHEMBL4538471 Ki = 18.4 nM 7.74
CHEMBL4440330 Ki = 19.8 nM 7.70
CHEMBL4573177 Ki = 26.3 nM 7.58
CHEMBL4444078 Ki = 27.9 nM 7.55
CHEMBL4543874 Ki = 30.0 nM 7.52
CHEMBL4462700 Ki = 32.6 nM 7.49
CHEMBL4461778 Ki = 34.9 nM 7.46
CHEMBL4469501 Ki = 37.3 nM 7.43
CHEMBL4525693 Ki = 38.2 nM 7.42
CHEMBL4586708 Ki = 40.6 nM 7.39
CHEMBL4474463 Ki = 44.8 nM 7.35
CHEMBL4519299 Ki = 56.4 nM 7.25
CHEMBL4443290 Ki = 57.3 nM 7.24
CHEMBL4482951 Ki = 61.7 nM 7.21
CHEMBL4474384 Ki = 65.0 nM 7.19
CHEMBL4448003 Ki = 94.4 nM 7.03
CHEMBL4461506 Ki = 153.8 nM 6.81
CHEMBL4463775 Ki = 9103.9 nM 5.04