Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50390599'   

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))	BDBM50390599 (CHEMBL2069579) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C25H22N4O3S/c30-24(23(10-17-4-2-1-3-5-17)27-14-22-15-33-16-28-22)29-21-12-19(11-20(13-21)25(31)32)18-6-8-26-9-7-18/h1-9,11-13,15-16,23,27H,10,14H2,(H,29,30)(H,31,32)/t23-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 22: 5942-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.063 BindingDB Entry DOI: 10.7270/Q2VH5PXT
					More data for this Ligand-Target Pair