Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50419983'   

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))	BDBM50419983 (CHEMBL2018306) Show SMILES CC(C)Oc1ncc(cc1C(F)(F)F)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12 Show InChI InChI=1S/C22H19F3N4O4/c1-11(2)32-21-16(22(23,24)25)8-13(10-27-21)20-28-19(29-33-20)15-5-3-4-14-12(6-7-17(30)31)9-26-18(14)15/h3-5,8-11,26H,6-7H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by Tango assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair