Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50294021'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50294021 (CHEMBL563360 | N-(3-carboxybenzylidene)(4-sulphona...) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-6-4-12(5-7-15)8-9-18-11-13-2-1-3-14(10-13)16(19)20/h1-7,10-11H,8-9H2,(H,19,20)(H2,17,21,22)/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM/UMII/UMR-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human erythrocytes carbonic anhydrase 2 by CO2 hydration assay				J Med Chem 52: 4853-9 (2009) Article DOI: 10.1021/jm900449v BindingDB Entry DOI: 10.7270/Q26M36VH
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