Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50314553'   

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 9 (Homo sapiens (Human))	BDBM50314553 (CHEMBL1088998 | N-4-(Aminosulfonyl)benzyl-S-(1-thi...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12+,13+,14-,15-,16-,17-,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
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