Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50386861'   

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))	BDBM50386861 (CHEMBL2048295) Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H15F6N3O3/c24-22(25,26)15-6-14(7-16(10-15)23(27,28)29)21-30-20(31-35-21)12-1-2-17-13(5-12)8-18-11(9-19(33)34)3-4-32(17)18/h1-2,5-8,10-11H,3-4,9H2,(H,33,34)	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	2.10	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay				Bioorg Med Chem Lett 22: 4404-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB
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