Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50491250'   

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))	BDBM50491250 (CHEMBL2381071) Show SMILES Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2nc(C)cc(C)n2)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C24H27N5OS/c1-15-11-16(2)27-23(26-15)25-13-19-12-24(9-10-24)14-29(19)22(30)20-21(31-17(3)28-20)18-7-5-4-6-8-18/h4-8,11,19H,9-10,12-14H2,1-3H3,(H,25,26,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rottapharm Madaus Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using BFC as substrate by fluorimetric assay				Bioorg Med Chem Lett 23: 2653-8 (2013) Article DOI: 10.1016/j.bmcl.2013.02.093 BindingDB Entry DOI: 10.7270/Q2CC13MH
					More data for this Ligand-Target Pair