Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50386879'   

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))	BDBM50386879 (CHEMBL2048486) Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O4/c1-2-14-6-8-15(9-7-14)10-16-4-3-5-17(11-16)19-12-18(13-23)20(24)22(26)21(19)25/h3-9,11,18-26H,2,10,12-13H2,1H3/t18-,19+,20-,21+,22+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simulatenously with BFC substrate by fluorometric assay				Bioorg Med Chem 20: 4117-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.053 BindingDB Entry DOI: 10.7270/Q26111CJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50386879 (CHEMBL2048486) Show SMILES CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H28O4/c1-2-14-6-8-15(9-7-14)10-16-4-3-5-17(11-16)19-12-18(13-23)20(24)22(26)21(19)25/h3-9,11,18-26H,2,10,12-13H2,1H3/t18-,19+,20-,21+,22+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric assay				Bioorg Med Chem 20: 4117-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.053 BindingDB Entry DOI: 10.7270/Q26111CJ
					More data for this Ligand-Target Pair