Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50063899'   

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))	BDBM50063899 (CHEMBL3403635) Show SMILES CN1CCn2c(C1CC(O)=O)c(Cl)c1cc(OCc3cc(OC(F)(F)F)cc(c3)C#N)ccc21 Show InChI InChI=1S/C23H19ClF3N3O4/c1-29-4-5-30-18-3-2-15(9-17(18)21(24)22(30)19(29)10-20(31)32)33-12-14-6-13(11-28)7-16(8-14)34-23(25,26)27/h2-3,6-9,19H,4-5,10,12H2,1H3,(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	1.70	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay				Bioorg Med Chem Lett 25: 659-63 (2015) Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P
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