Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50010465'   

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))	BDBM50010465 (CHEMBL3263996) Show SMILES CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1 Show InChI InChI=1S/C20H22N4O6S/c1-12-15-6-5-14(29-20(26)24(3)4)11-17(15)30-19(25)16(12)9-13-7-8-22-18(10-13)23-31(27,28)21-2/h5-8,10-11,21H,9H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of ...				ACS Med Chem Lett 5: 309-14 (2014) Article DOI: 10.1021/ml400379x BindingDB Entry DOI: 10.7270/Q27W6DQD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50010465 (CHEMBL3263996) Show SMILES CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1 Show InChI InChI=1S/C20H22N4O6S/c1-12-15-6-5-14(29-20(26)24(3)4)11-17(15)30-19(25)16(12)9-13-7-8-22-18(10-13)23-31(27,28)21-2/h5-8,10-11,21H,9H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of N...				ACS Med Chem Lett 5: 309-14 (2014) Article DOI: 10.1021/ml400379x BindingDB Entry DOI: 10.7270/Q27W6DQD
					More data for this Ligand-Target Pair