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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 = 'BDBM50411244'   
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))
BDBM50411244
PNG
(CHEMBL2113260)
Show SMILES CCCCCCCCCCCCCCCCOc1ccc(cc1OC)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\N1CCCCC1
Show InChI InChI=1S/C37H55N3O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-33-21-20-29(28-34(33)47-2)35(40-22-17-16-18-23-40)38-39-49(45,46)32-26-30(36(41)42)25-31(27-32)37(43)44/h20-21,25-28,39H,3-19,22-24H2,1-2H3,(H,41,42)(H,43,44)/b38-35-
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.44E+3n/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