Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50329288'   

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))	BDBM50329288 ((R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carbo...) Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(33.72,4.21,;32.18,4.23,;31.44,5.58,;32.95,5.58,;31.39,2.91,;29.85,2.94,;29.11,4.28,;29.06,1.62,;27.52,1.64,;26.64,2.9,;25.17,2.45,;25.14,.9,;26.6,.41,;23.8,.15,;23.78,-1.39,;22.47,.93,;21.13,.17,;21.12,-1.36,;19.72,-1.7,;18.4,-1.21,;17.2,-2.49,;18.7,-2.07,;20.11,-2.63,;18.7,-.49,;19.73,.75,;18.39,.27,)| Show InChI InChI=1S/C20H32N2O4/c1-20(2,3)26-18(23)21-16-4-5-22(11-16)19(24)25-17-14-7-12-6-13(9-14)10-15(17)8-12/h12-17H,4-11H2,1-3H3,(H,21,23)/t12?,13?,14?,15?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 6725-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.142 BindingDB Entry DOI: 10.7270/Q2X92BJ5
					More data for this Ligand-Target Pair