Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50316725'   

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))	BDBM50316725 ((Z,Z)-5-(4-Hydroxy-3-methyl-benzylidene)-2-isoprop...) Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1 Show InChI InChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/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	50	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