Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM247368'   

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))	BDBM247368 (US9447092, Comparator 2, Example 57) Show SMILES Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1 Show InChI InChI=1S/C22H25BrN8/c1-14-18(15(2)29(3)28-14)21-26-19-20(17(23)12-25-22(19)27-21)31-9-7-30(8-10-31)13-16-5-4-6-24-11-16/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...				US Patent US9447092 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J9C
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