Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50331234'   

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 2C9 (Homo sapiens (Human))	BDBM50331234 ((S)-4-(benzyloxy)-1-(1-(2-(3-hydroxypyrrolidin-1-y...) Show SMILES O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r| Show InChI InChI=1S/C25H26N4O3/c30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t22-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 7015-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.039 BindingDB Entry DOI: 10.7270/Q2P55NSM
					More data for this Ligand-Target Pair