Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420139'   

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))	BDBM50420139 (CHEMBL2059672) Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1cnc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O3S/c1-4-16-14(8-6-10-19(30)31)7-5-9-17(16)20-28-22(33-29-20)15-11-18(23(24,25)26)21(27-12-15)32-13(2)3/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(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	5.01	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity against S1P1 receptor by cell based FRET assay				J Med Chem 55: 4286-96 (2012) Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ
					More data for this Ligand-Target Pair