Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50334782'   

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))	BDBM50334782 (CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...) Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair