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BDBM50308981 6-O-Hexylsulfonyl-D-glucose-2,4-bisphosphate::CHEMBL600243

SMILES: CCCCCCS(=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=DEJWKFSFAMEEIQ-JWISSMICSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308981   
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
Sphingomyelin phosphodiesterase


(Homo sapiens)
BDBM50308981
PNG
(6-O-Hexylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCS(=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/C12H26O14P2S/c1-2-3-4-5-6-29(21,22)23-7-8-10(25-27(15,16)17)9(13)11(12(14)24-8)26-28(18,19)20/h8-14H,2-7H2,1H3,(H2,15,16,17)(H2,18,19,20)/t8-,9+,10-,11-,12?/m1/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.16E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay


Eur J Med Chem 151: 389-400 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.065
BindingDB Entry DOI: 10.7270/Q21R6T2M
More data for this
Ligand-Target Pair
Neutral sphingomyelinase


(Rattus norvegicus)
BDBM50308981
PNG
(6-O-Hexylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCS(=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/C12H26O14P2S/c1-2-3-4-5-6-29(21,22)23-7-8-10(25-27(15,16)17)9(13)11(12(14)24-8)26-28(18,19)20/h8-14H,2-7H2,1H3,(H2,15,16,17)(H2,18,19,20)/t8-,9+,10-,11-,12?/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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