Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50419960'   

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))	BDBM50419960 (CHEMBL2011732) Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1ccc(CO)cc1 Show InChI InChI=1S/C21H20F3N3O2S/c1-2-3-12-27(19(29)16-8-10-17(11-9-16)21(22,23)24)20-26-25-18(30-20)15-6-4-14(13-28)5-7-15/h4-11,28H,2-3,12-13H2,1H3	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	12.6	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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