Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50492603'   

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))	BDBM50492603 (CHEMBL2408076) Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1c(Cl)c2ccccc2oc1=O Show InChI InChI=1S/C17H13ClN4O4S/c18-15-12-3-1-2-4-14(12)26-16(23)13(15)9-21-10-5-7-11(8-6-10)27(24,25)22-17(19)20/h1-9H,(H4,19,20,22)/b21-9+	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	188	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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