Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50424954'   

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))	BDBM50424954 (CHEMBL2315822) Show SMILES OC(=O)CCc1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-14-20(22-15-30-24(31-22)12-13-25(32)33)10-11-23(21)34-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-11,14-15H,12-13,16H2,(H,30,31)(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P3 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2012.11.053 BindingDB Entry DOI: 10.7270/Q2X63P82
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