Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM107630'   

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))	BDBM107630 (US8575157, 82) Show SMILES CC(CO)Cn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c1-22(20-34)19-32-16-14-26(18-28(32)35)25-12-10-24(11-13-25)23(2)33-17-15-31(38-29(33)36,21-30(3,4)37)27-8-6-5-7-9-27/h5-14,16,18,22-23,34,37H,15,17,19-21H2,1-4H3/t22?,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
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