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Assay Detail

CHEMBL3820552

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Binding
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR 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

Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
Gaspari R, Rechlin C, Heine A, Bottegoni G, Rocchia W, Schwarz D, Bomke J, Gerber HD, Klebe G, Cavalli A.
J Med Chem (2016) 59 : 4245 -4256
PubMed 26700575 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 7 4.89 6.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL414 CARZENIDE 2.0 1 6.05
CHEMBL21 SULFANILAMIDE 4.0 1 5.26
CHEMBL148660 1 4.24
CHEMBL358263 1 4.01
CHEMBL27601 BENZENESULFONAMIDE 1 -
CHEMBL574 P-TOLUENESULFONAMIDE 3.0 1 -
CHEMBL6784 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL414 CARZENIDE Kd = 890.0 nM 6.05
CHEMBL21 SULFANILAMIDE Kd = 5550.0 nM 5.26
CHEMBL148660 Kd = 57800.0 nM 4.24
CHEMBL358263 Kd = 98300.0 nM 4.01
CHEMBL27601 BENZENESULFONAMIDE Kd = 1149700.0 nM -
CHEMBL574 P-TOLUENESULFONAMIDE Kd = 292900.0 nM -
CHEMBL6784 Kd = 392000.0 nM -