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BDBM50360521 CHEMBL1935666

SMILES: CC(C)(C)c1ccc(COc2ccc(CCC3(COC(=O)N3)C(N)=O)cc2)cc1

InChI Key: InChIKey=ZMSSVBZIPRFESG-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360521   
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))
BDBM50360521
PNG
(CHEMBL1935666)
Show SMILES CC(C)(C)c1ccc(COc2ccc(CCC3(COC(=O)N3)C(N)=O)cc2)cc1
Show InChI InChI=1S/C23H28N2O4/c1-22(2,3)18-8-4-17(5-9-18)14-28-19-10-6-16(7-11-19)12-13-23(20(24)26)15-29-21(27)25-23/h4-11H,12-15H2,1-3H3,(H2,24,26)(H,25,27)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.72E+3n/an/an/an/a



Institute of Pharmacology& Toxicology

Curated by ChEMBL


Assay Description
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins


Bioorg Med Chem Lett 22: 553-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.088
BindingDB Entry DOI: 10.7270/Q2154HGN
More data for this
Ligand-Target Pair