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BDBM50386857 CHEMBL2048291

SMILES: COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1

InChI Key: InChIKey=LDEKSMXKZZRBGS-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386857   
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))
BDBM50386857
PNG
(CHEMBL2048291)
Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C23H18N4O4/c1-30-19-7-4-14(8-15(19)11-24)23-26-22(27-31-23)13-3-6-18-17(9-13)16-5-2-12(10-20(28)29)21(16)25-18/h3-4,6-9,12,25H,2,5,10H2,1H3,(H,28,29)
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Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair