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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50308980   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingomyelin phosphodiesterase


(Homo sapiens)
BDBM50308980
PNG
(6-O-Octylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCCCS(=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/C14H30O14P2S/c1-2-3-4-5-6-7-8-31(23,24)25-9-10-12(27-29(17,18)19)11(15)13(14(16)26-10)28-30(20,21)22/h10-16H,2-9H2,1H3,(H2,17,18,19)(H2,20,21,22)/t10-,11+,12-,13-,14?/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+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)
BDBM50308980
PNG
(6-O-Octylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCCCCCCCS(=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/C14H30O14P2S/c1-2-3-4-5-6-7-8-31(23,24)25-9-10-12(27-29(17,18)19)11(15)13(14(16)26-10)28-30(20,21)22/h10-16H,2-9H2,1H3,(H2,17,18,19)(H2,20,21,22)/t10-,11+,12-,13-,14?/m1/s1
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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