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SMILES: CCc1c(CCCC(O)=O)cccc1-c1ncc(cn1)-c1ccc(OC(C)C)c(c1)C#N

InChI Key: InChIKey=INNSEEKXRWQEKV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420132   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50420132
PNG
(CHEMBL2059528)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ncc(cn1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)26-28-15-21(16-29-26)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31)
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Similars
Article
PubMed
n/an/an/an/a 25.1n/an/an/an/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