Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50492671'   

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))	BDBM50492671 (CHEMBL2407713) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
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