Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50357787'   

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))	BDBM50357787 (CHEMBL1916564) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(C2CCCC2)c(Cl)c1 Show InChI InChI=1S/C25H24ClN3O4/c26-20-14-18(5-7-19(20)15-3-1-2-4-15)25-27-24(28-33-25)17-6-8-21-16(13-17)11-12-29(21)22(30)9-10-23(31)32/h5-8,13-15H,1-4,9-12H2,(H,31,32)	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	0.820	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
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