Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50419950'   

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))	BDBM50419950 (CHEMBL2011722) Show SMILES CCCCN(c1nnc(s1)-c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClN4O2S2/c1-2-3-11-22(26(23,24)15-8-6-14(18)7-9-15)17-21-20-16(25-17)13-5-4-10-19-12-13/h4-10,12H,2-3,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase r...				Bioorg Med Chem Lett 22: 2456-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.016 BindingDB Entry DOI: 10.7270/Q2571D1C
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