Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50355389'   

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))	BDBM50355389 (CHEMBL1834661) Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 using MFC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
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