Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50117796'   

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))	BDBM50117796 (CHEMBL276856 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C33H31ClFN5O3S/c1-38-18-25(17-36-38)16-28-20-40(33(37-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)39(14-15-41)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20,41H,14-16,19,21-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair