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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutral sphingomyelinase' and Ligand = 'BDBM50308978'   
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
Neutral sphingomyelinase


(Rattus norvegicus)
BDBM50308978
PNG
(6-O-Ethylsulfonyl-D-glucose-2,4-bisphosphate | CHE...)
Show SMILES CCS(=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/C8H18O14P2S/c1-2-25(17,18)19-3-4-6(21-23(11,12)13)5(9)7(8(10)20-4)22-24(14,15)16/h4-10H,2-3H2,1H3,(H2,11,12,13)(H2,14,15,16)/t4-,5+,6-,7-,8?/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