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BDBM50420144 CHEMBL2059678

SMILES: CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1

InChI Key: InChIKey=XCPYFGUSPJYURP-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420144   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420144
PNG
(CHEMBL2059678)
Show SMILES CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C22H24ClN3O3S/c1-4-16-15(6-5-7-20(27)28)11-24-12-17(16)21-25-22(30-26-21)14-8-9-19(18(23)10-14)29-13(2)3/h8-13H,4-7H2,1-3H3,(H,27,28)
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Similars

Article
PubMed
n/an/an/an/a 251n/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