Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50158350'   

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))	BDBM50158350 (1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...) Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
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