Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50355390'   

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))	BDBM50355390 (CHEMBL1834660) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCCN(C)C)cc3)ncn2)c1Cl Show InChI InChI=1S/C25H30Cl2N6O3/c1-32(2)12-6-7-16-8-10-17(11-9-16)30-20-14-21(29-15-28-20)33(3)25(34)31-24-22(26)18(35-4)13-19(36-5)23(24)27/h8-11,13-15H,6-7,12H2,1-5H3,(H,31,34)(H,28,29,30)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using BFC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50355390 (CHEMBL1834660) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCCN(C)C)cc3)ncn2)c1Cl Show InChI InChI=1S/C25H30Cl2N6O3/c1-32(2)12-6-7-16-8-10-17(11-9-16)30-20-14-21(29-15-28-20)33(3)25(34)31-24-22(26)18(35-4)13-19(36-5)23(24)27/h8-11,13-15H,6-7,12H2,1-5H3,(H,31,34)(H,28,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using DBF as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair