Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50130610'   

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))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 2C9				J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66
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