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BDBM50420139 CHEMBL2059672

SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1cnc(OC(C)C)c(c1)C(F)(F)F

InChI Key: InChIKey=XLEOCKFRMRQPHL-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420139   
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))
BDBM50420139
PNG
(CHEMBL2059672)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1cnc(OC(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O3S/c1-4-16-14(8-6-10-19(30)31)7-5-9-17(16)20-28-22(33-29-20)15-11-18(23(24,25)26)21(27-12-15)32-13(2)3/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(H,30,31)
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Similars

Article
PubMed
n/an/an/an/a 5.01n/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