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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 = 'BDBM50203777'   
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))
BDBM50203777
PNG
((E)-5-[1-(4-octyloxy-3-methoxyphenyl)-1-phenylmeth...)
Show SMILES CCCCCCCCOc1ccc(cc1OC)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1
Show InChI InChI=1S/C30H34N2O8S/c1-3-4-5-6-7-11-16-40-26-15-14-22(20-27(26)39-2)28(21-12-9-8-10-13-21)31-32-41(37,38)25-18-23(29(33)34)17-24(19-25)30(35)36/h8-10,12-15,17-20,32H,3-7,11,16H2,1-2H3,(H,33,34)(H,35,36)/b31-28+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



TOA EIYO Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells


J Med Chem 50: 442-54 (2007)


Article DOI: 10.1021/jm060834d
BindingDB Entry DOI: 10.7270/Q2NG4Q84
More data for this
Ligand-Target Pair