Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420130'   

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))	BDBM50420130 (CHEMBL2059525) Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cc([nH]n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O3/c1-4-20-17(8-6-10-25(29)30)7-5-9-21(20)23-14-22(27-28-23)18-11-12-24(31-16(2)3)19(13-18)15-26/h5,7,9,11-14,16H,4,6,8,10H2,1-3H3,(H,27,28)(H,29,30)	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	>1.00E+4	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