Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50041706'   

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))	BDBM50041706 (CHEMBL3358909) Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C21H17ClF3NO3/c22-17-5-1-11(7-16(17)21(23,24)25)10-29-13-3-6-18-15(9-13)14-4-2-12(8-19(27)28)20(14)26-18/h1,3,5-7,9,12,26H,2,4,8,10H2,(H,27,28)	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	159	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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