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Assay Detail

CHEMBL2183728

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

Binding
Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method
7
Total Activities
7
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

Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibit α- and β-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms.
Marini AM, Maresca A, Aggarwal M, Orlandini E, Nencetti S, Da Settimo F, Salerno S, Simorini F, La Motta C, Taliani S, Nuti E, Scozzafava A, McKenna R, Rossello A, Supuran CT.
J Med Chem (2012) 55 : 9619 -9629
PubMed 23067387 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 7 7.31 7.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2179308 1 7.80
CHEMBL2179307 1 7.54
CHEMBL865 VALDECOXIB 4.0 1 7.37
CHEMBL2179304 1 7.31
CHEMBL2179305 1 7.14
CHEMBL2179306 1 6.68
CHEMBL118 CELECOXIB 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2179308 Ki = 16.0 nM 7.80
CHEMBL2179307 Ki = 29.0 nM 7.54
CHEMBL865 VALDECOXIB Ki = 43.0 nM 7.37
CHEMBL2179304 Ki = 49.0 nM 7.31
CHEMBL2179305 Ki = 72.0 nM 7.14
CHEMBL2179306 Ki = 210.0 nM 6.68
CHEMBL118 CELECOXIB Ki = 21.0 nM -