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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50027940'   
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 3


(Homo sapiens (Human))
BDBM50027940
PNG
(CHEMBL3344421)
Show SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1noc(n1)N1CCN(CC1)C(=O)C1CCCC1 |r|
Show InChI InChI=1/C21H27ClFN5O4/c22-16-10-18(31-12-14(24)11-29)17(23)9-15(16)19-25-21(32-26-19)28-7-5-27(6-8-28)20(30)13-3-1-2-4-13/h9-10,13-14,29H,1-8,11-12,24H2/t14-/s2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair