Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50357788'   

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))	BDBM50357788 (CHEMBL1916565) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(-c2cccs2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H18F3N3O4S/c26-25(27,28)18-13-16(3-5-17(18)20-2-1-11-36-20)24-29-23(30-35-24)15-4-6-19-14(12-15)9-10-31(19)21(32)7-8-22(33)34/h1-6,11-13H,7-10H2,(H,33,34)	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	1.30	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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