Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50532742'   

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))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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))	BDBM50532742 (CHEMBL4455063) Show SMILES CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1| Show InChI InChI=1S/C23H27ClN4O2/c1-16-9-10-28(27-14-17-5-3-2-4-6-17)23(30)21(16)12-22(29)26-15-19-11-20(24)8-7-18(19)13-25/h2-8,11,27H,9-10,12-15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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