Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50354338'   

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))	BDBM50354338 (CHEMBL1836632) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CS(=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)c1I |r| Show InChI InChI=1S/C21H29IN4O14S2/c22-19-10(24-25-26(19)8-1-3-9(4-2-8)42(23,36)37)7-41(34,35)21-17(33)15(31)18(12(6-28)39-21)40-20-16(32)14(30)13(29)11(5-27)38-20/h1-4,11-18,20-21,27-33H,5-7H2,(H2,23,36,37)/t11-,12-,13-,14+,15-,16-,17-,18-,20-,21+/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	68	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 CO2 hydration based stopped flow assay				J Med Chem 54: 6905-18 (2011) Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ
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