Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50294019'   

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))	BDBM50294019 ((5-imino-2-sulfonic acid furane)(4-sulfonamidephen...) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(o2)S(O)(=O)=O)cc1 Show InChI InChI=1S/C13H14N2O6S2/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20/h1-6,9H,7-8H2,(H2,14,16,17)(H,18,19,20)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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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