Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50316722'   

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))	BDBM50316722 ((Z,Z)-5-(3,4-Dimethoxy-benzylidene)-2-isopropylimi...) Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1OC Show InChI InChI=1S/C21H22N2O3S/c1-14(2)22-21-23(16-8-6-5-7-9-16)20(24)19(27-21)13-15-10-11-17(25-3)18(12-15)26-4/h5-14H,1-4H3/b19-13-,22-21-	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	1.39E+3	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