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BDBM50420138 CHEMBL2059671

SMILES: CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N

InChI Key: InChIKey=BLKXGNPITGNMSE-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420138   
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))
BDBM50420138
PNG
(CHEMBL2059671)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N
Show InChI InChI=1S/C25H27N3O2S/c1-4-21-17(8-6-10-23(29)30)7-5-9-22(21)24-27-25(31-28-24)19-12-11-18(13-16(2)3)20(14-19)15-26/h5,7,9,11-12,14,16H,4,6,8,10,13H2,1-3H3,(H,29,30)
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Article
PubMed
n/an/an/an/a 1.26n/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