Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50386864'   

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))	BDBM50386864 (CHEMBL2048298) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1 Show InChI InChI=1S/C25H22N4O4/c1-14(2)32-22-6-4-17(10-19(22)13-26)25-27-24(28-33-25)16-3-5-20-18(9-16)11-21-15(12-23(30)31)7-8-29(20)21/h3-6,9-11,14-15H,7-8,12H2,1-2H3,(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	0.610	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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