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1 similar compounds to monomer 50420131

Compile data set for download or QSAR
Wt: 429.5
BDBM50420123

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420123   
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))
BDBM50420123
PNG
(CHEMBL2059666)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccnc(n1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-25(30)31)7-5-9-22(21)23-13-14-28-26(29-23)19-11-12-24(32-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,30,31)
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Similars

Article
PubMed
n/an/an/an/a>3.16E+3n/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