Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50419987'   

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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50419987 (CHEMBL2018310) Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12 Show InChI InChI=1S/C21H19N3O5/c1-27-16-8-6-12(10-17(16)28-2)21-23-20(24-29-21)15-5-3-4-14-13(7-9-18(25)26)11-22-19(14)15/h3-6,8,10-11,22H,7,9H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
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