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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 = 'BDBM50203765'   
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))
BDBM50203765
PNG
((E)-5-[1-(4-cetyloxyphenyl)-1-phenylmethylene]sulf...)
Show SMILES CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1
Show InChI InChI=1S/C37H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-46-33-23-21-30(22-24-33)35(29-19-16-15-17-20-29)38-39-47(44,45)34-27-31(36(40)41)26-32(28-34)37(42)43/h15-17,19-24,26-28,39H,2-14,18,25H2,1H3,(H,40,41)(H,42,43)/b38-35+
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.74E+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