Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM107658'   

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 2C19 (Homo sapiens (Human))	BDBM107658 (US8575157, 33) Show SMILES C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r| Show InChI InChI=1S/C27H29FN2O4/c1-19(20-4-6-21(7-5-20)22-8-13-25(32)29(2)18-22)30-16-15-27(14-3-17-31,34-26(30)33)23-9-11-24(28)12-10-23/h4-13,18-19,31H,3,14-17H2,1-2H3/t19-,27+/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	1.70E+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 2C19-isoenzyme catalysed N-demethylation ...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair