Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM14734'   

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))	BDBM14734 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)s1 Show InChI InChI=1S/C31H24N5O4S3/c32-42(37,38)31-34-33-30(41-31)35-43(39,40)27-18-16-26(17-19-27)36-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(36)24-14-8-3-9-15-24/h1-21H,(H,33,35)(H2,32,37,38)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
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