Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50318110'   

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))	BDBM50318110 ((S)-2-(4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethyla...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC#N)CC1 |r| Show InChI InChI=1S/C27H28ClN7O2/c1-17-13-20(35-11-9-34(8-6-29)10-12-35)15-22-25(17)33-26(32-22)24-21(5-7-30-27(24)37)31-16-23(36)18-3-2-4-19(28)14-18/h2-5,7,13-15,23,36H,8-12,16H2,1H3,(H,32,33)(H2,30,31,37)/t23-/m1/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP3A4 assessed as dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 20: 3182-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.057 BindingDB Entry DOI: 10.7270/Q2GX4BQB
					More data for this Ligand-Target Pair