Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50316709'   

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))	BDBM50316709 ((Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopr...) Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCO)cc2)C(=O)N1c1ccccc1 Show InChI InChI=1S/C21H22N2O3S/c1-15(2)22-21-23(17-6-4-3-5-7-17)20(25)19(27-21)14-16-8-10-18(11-9-16)26-13-12-24/h3-11,14-15,24H,12-13H2,1-2H3/b19-14-,22-21-	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	n/a	n/a	114	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay				J Med Chem 53: 4198-211 (2010) Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ
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