Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50336072'   

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))	BDBM50336072 ((R)-3,3,3-trifluoro-N-methyl-N-(2-(3-(1-(pyrazin-2...) Show SMILES C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C21H24F3N3/c1-15(19-14-25-9-10-26-19)20-17(13-16-5-3-4-6-18(16)20)7-11-27(2)12-8-21(22,23)24/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3/t15-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair