Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50041698'   

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))	BDBM50041698 (CHEMBL3358914) Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C24H22F3NO3/c25-24(26,27)20-9-13(1-6-17(20)14-2-3-14)12-31-16-5-8-21-19(11-16)18-7-4-15(10-22(29)30)23(18)28-21/h1,5-6,8-9,11,14-15,28H,2-4,7,10,12H2,(H,29,30)	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	3.70	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay				ACS Med Chem Lett 5: 1313-7 (2014) Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C
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