Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50186406'   

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 1 (Homo sapiens (Human))	BDBM50186406 (3-(4-(5-(3-cyano-4-propoxyphenyl)-1,3,4-thiadiazol...) Show SMILES CCCOc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21N3O3S/c1-3-10-28-19-8-6-16(12-17(19)13-23)21-24-25-22(29-21)18-7-4-15(11-14(18)2)5-9-20(26)27/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P1 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