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BDBM50360522 CHEMBL1935662

SMILES: NC(=O)C1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1

InChI Key: InChIKey=VIXIHNMGNDQBFH-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360522   
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))
BDBM50360522
PNG
(CHEMBL1935662)
Show SMILES NC(=O)C1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1
Show InChI InChI=1S/C19H19ClN2O4/c20-16-4-2-1-3-14(16)11-25-15-7-5-13(6-8-15)9-10-19(17(21)23)12-26-18(24)22-19/h1-8H,9-12H2,(H2,21,23)(H,22,24)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/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