Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50186390'   

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))	BDBM50186390 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-3-yl)...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cc(cs1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)23-12-20(14-29-23)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)	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	>1.00E+4	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair