Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50186392'   

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))	BDBM50186392 (3-(4-(5-(3-cyano-4-(3,3,3-trifluoropropoxy)phenyl)...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCCC(F)(F)F)c(c1)C#N Show InChI InChI=1S/C22H18F3N3O3S/c1-13-10-14(3-7-19(29)30)2-5-17(13)21-28-27-20(32-21)15-4-6-18(16(11-15)12-26)31-9-8-22(23,24)25/h2,4-6,10-11H,3,7-9H2,1H3,(H,29,30)	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	7.70	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