Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 14' and Ligand = 'BDBM50343129'   

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
P2Y purinoceptor 14 (Mus musculus)	BDBM50343129 (2-(4-cyanopyridin-3-yl)-N-(3-ethylphenyl)-4-o-toly...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cnccc2C#N)c1 Show InChI InChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-12-26-25(18-35)27(23-10-5-4-7-19(23)2)34-28(33-26)24-17-31-13-11-21(24)16-30/h4-11,13,15,17H,3,12,14,18H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
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