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BDBM50308979 6-O-Dodecylsulfonyl-D-glucose-2,4-bisphosphate::CHEMBL590347

SMILES: CCCCCCCCCCCCS(=O)(=O)OC[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O

InChI Key: InChIKey=PYUXFPFYORCPAK-NLFSOYADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308979   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral sphingomyelinase


(Rattus norvegicus)
BDBM50308979
PNG
(6-O-Dodecylsulfonyl-D-glucose-2,4-bisphosphate | C...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)OC[C@H]1OC(O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C18H38O14P2S/c1-2-3-4-5-6-7-8-9-10-11-12-35(27,28)29-13-14-16(31-33(21,22)23)15(19)17(18(20)30-14)32-34(24,25)26/h14-20H,2-13H2,1H3,(H2,21,22,23)(H2,24,25,26)/t14-,15+,16-,17-,18?/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Humboldt Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of nSMase in rat brain microsomal homogenate by fluorescence assay


Bioorg Med Chem 18: 939-44 (2010)


Article DOI: 10.1016/j.bmc.2009.11.030
BindingDB Entry DOI: 10.7270/Q2H70FWQ
More data for this
Ligand-Target Pair