Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50386854'   

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))	BDBM50386854 (CHEMBL2048288) Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1)C#N Show InChI InChI=1S/C23H18N4O4/c1-30-16-7-12(11-24)6-15(8-16)23-26-22(27-31-23)14-3-5-19-18(9-14)17-4-2-13(10-20(28)29)21(17)25-19/h3,5-9,13,25H,2,4,10H2,1H3,(H,28,29)	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	157	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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