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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50360520'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50360520
PNG
(CHEMBL1935665)
Show SMILES NC(=O)C1(CCc2ccc(OCCCc3ccccc3)cc2)COC(=O)N1
Show InChI InChI=1S/C21H24N2O4/c22-19(24)21(15-27-20(25)23-21)13-12-17-8-10-18(11-9-17)26-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H2,22,24)(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.63E+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