Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420142'   

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))	BDBM50420142 (CHEMBL2059675) Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2S/c1-2-19-17(9-7-11-23(33)34)8-6-10-20(19)24-30-25(35-31-24)18-12-13-22(21(16-18)26(27,28)29)32-14-4-3-5-15-32/h6,8,10,12-13,16H,2-5,7,9,11,14-15H2,1H3,(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	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
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