Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 3' and Ligand = 'BDBM50325922'   

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 3 (Homo sapiens (Human))	BDBM50325922 (2-((4-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrim...) Show SMILES Fc1ccc(CCOCc2nc3ncccc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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 GPR109B				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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