Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50316717'   

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))	BDBM50316717 ((Z,Z)-5-(3-Hydroxy-4-methoxy-benzylidene)-2-isopro...) Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1O Show InChI InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-17(25-3)16(23)11-14/h4-13,23H,1-3H3/b18-12-,21-20-	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	212	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
					More data for this Ligand-Target Pair