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BDBM50203778 2-(hexadecyloxy)-5-sulfobenzoic acid::CHEMBL387252

SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1C(O)=O)S(O)(=O)=O

InChI Key: InChIKey=XMOQPZLLKNFFIR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50203778   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50203778
PNG
(2-(hexadecyloxy)-5-sulfobenzoic acid | CHEMBL38725...)
Show SMILES CCCCCCCCCCCCCCCCOc1ccc(cc1C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C23H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28)
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Article
PubMed
n/an/a 8.75E+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