Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50532741'   

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))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50532741 (CHEMBL4443619) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1| Show InChI InChI=1S/C24H27ClN4O4/c1-15-7-8-29(28-13-16-3-2-4-17(9-16)24(32)33)23(31)21(15)11-22(30)27-14-19-10-20(25)6-5-18(19)12-26/h2-6,9-10,28H,7-8,11-14,26H2,1H3,(H,27,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 59: 6658-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b01871 BindingDB Entry DOI: 10.7270/Q2183B1D
					More data for this Ligand-Target Pair