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3 similar compounds to monomer 50308981

Compile data set for download or QSAR
Wt: 432.2
BDBM50308978
Wt: 572.4
BDBM50308979
Wt: 516.3
BDBM50308980

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50308978,50308979,50308980   
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)
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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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
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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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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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
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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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