Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50479542'   

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 3A4 (Homo sapiens (Human))	BDBM50479542 (CAS 31122-64-2 | CHEMBL491273) Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCC1 Show InChI InChI=1S/C16H18N2O3/c19-14(17-9-4-1-5-10-17)8-11-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7H,1,4-5,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	<5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 52: 1247-50 (2009) Article DOI: 10.1021/jm801278g BindingDB Entry DOI: 10.7270/Q23T9M14
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