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PubMed code 11392536

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral sphingomyelinase


(Rattus norvegicus)
BDBM50100341
PNG
((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...)
Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O
Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory concentration against neutral sphingomyelinase (N-Smase) from rat brain microsomes


Bioorg Med Chem Lett 11: 1277-80 (2001)


Article DOI: 10.1016/s0960-894x(01)00179-2
BindingDB Entry DOI: 10.7270/Q2B56J1S
More data for this
Ligand-Target Pair
Neutral sphingomyelinase


(Rattus norvegicus)
BDBM50100341
PNG
((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...)
Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O
Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.93E+4n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory concentration against lysosomal neutral sphingomyelinase (N-Smase)


Bioorg Med Chem Lett 11: 1277-80 (2001)


Article DOI: 10.1016/s0960-894x(01)00179-2
BindingDB Entry DOI: 10.7270/Q2B56J1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%