Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50302372'   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302372 ((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...) Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
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