Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50357780'   

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))	BDBM50357780 (CHEMBL1916558) Show SMILES OC(=O)CCc1nc2ccc(cc2[nH]1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H12F6N4O3/c21-19(22,23)11-5-10(6-12(8-11)20(24,25)26)18-29-17(30-33-18)9-1-2-13-14(7-9)28-15(27-13)3-4-16(31)32/h1-2,5-8H,3-4H2,(H,27,28)(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	1.20	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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