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Assay Detail

CHEMBL5587984

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

Binding
Displacement of dansylamide from human recombinant CA II expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by fluorescence microplate reader
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

Investigating Active Site Binding of Ligands to High and Low Activity Carbonic Anhydrase Enzymes Using Native Mass Spectrometry.
Yu Y, Sternicki LM, Hilko DH, Jarrott RJ, Di Trapani G, Tonissen KF, Poulsen SA.
J Med Chem (2024) 67 : 15862 -15872
PubMed 39161321 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 7 6.40 7.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL118 CELECOXIB 4.0 1 7.80
CHEMBL20 ACETAZOLAMIDE 4.0 1 7.70
CHEMBL19 METHAZOLAMIDE 4.0 1 7.26
CHEMBL406 INDAPAMIDE 4.0 1 5.85
CHEMBL1054 TRICHLORMETHIAZIDE 4.0 1 5.58
CHEMBL35 FUROSEMIDE 4.0 1 5.50
CHEMBL435 HYDROCHLOROTHIAZIDE 4.0 1 5.14

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL118 CELECOXIB Kd = 15.8 nM 7.80
CHEMBL20 ACETAZOLAMIDE Kd = 20.0 nM 7.70
CHEMBL19 METHAZOLAMIDE Kd = 54.8 nM 7.26
CHEMBL406 INDAPAMIDE Kd = 1420.0 nM 5.85
CHEMBL1054 TRICHLORMETHIAZIDE Kd = 2600.0 nM 5.58
CHEMBL35 FUROSEMIDE Kd = 3140.0 nM 5.50
CHEMBL435 HYDROCHLOROTHIAZIDE Kd = 7190.0 nM 5.14