Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420145'   

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))	BDBM50420145 (CHEMBL2059679) Show SMILES CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C24H26N4O2S/c1-4-20-18(6-5-7-22(29)30)13-26-14-21(20)23-27-24(31-28-23)17-9-8-16(10-15(2)3)19(11-17)12-25/h8-9,11,13-15H,4-7,10H2,1-3H3,(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	398	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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