Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50325919'   

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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50325919 (2-(3-(4-methoxyphenoxy)propoxy)pyrido[2,3-d]pyrimi...) Show SMILES COc1ccc(OCCCOc2nc3ncccc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C17H17N3O4/c1-22-12-5-7-13(8-6-12)23-10-3-11-24-17-19-15-14(16(21)20-17)4-2-9-18-15/h2,4-9H,3,10-11H2,1H3,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human GPR109A				Bioorg Med Chem Lett 20: 5426-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF
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