Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50073547'   

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))	BDBM50073547 (CHEMBL3408951) Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,33-/m0/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	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2M0475V
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