Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50197526'   

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))	BDBM50197526 (CHEMBL3982647) Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by...				J Med Chem 59: 9567-9573 (2016) Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50197526 (CHEMBL3982647) Show SMILES Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:11:9:5.6:2| Show InChI InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by...				J Med Chem 59: 9567-9573 (2016) Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2
					More data for this Ligand-Target Pair