Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50041699'   

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))	BDBM50041699 (CHEMBL3358913) Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)21-10-14(4-7-18(21)15-2-1-3-15)13-32-17-6-9-22-20(12-17)19-8-5-16(11-23(30)31)24(19)29-22/h4,6-7,9-10,12,15-16,29H,1-3,5,8,11,13H2,(H,30,31)	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	0.450	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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