Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50492595'   

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))	BDBM50492595 (CHEMBL2408077) Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3ccccc3oc2=O)n1 Show InChI InChI=1S/C22H17ClN4O4S/c1-13-11-14(2)26-22(25-13)27-32(29,30)16-9-7-15(8-10-16)24-12-18-20(23)17-5-3-4-6-19(17)31-21(18)28/h3-12H,1-2H3,(H,25,26,27)/b24-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
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