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PubMed code 7359525

Compile data set for download or QSAR
Found 3 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
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50366974
PNG
(CHEMBL1204407 | CHEMBL3392141)
Show SMILES Cl.Cl.CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O3/c1-20(4-2-3-15)5-8-10(22)11(23)14(24-8)21-7-19-9-12(16)17-6-18-13(9)21/h6-8,10-11,14,22-23H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14?/m1/s1
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Article
PubMed
1.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition against S-adenosyl-L-methionine decarboxylase from rat liver


J Med Chem 23: 121-7 (1980)


Article DOI: 10.1021/jm00176a004
BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50366972
PNG
(CHEMBL3392188 | CHEMBL541665)
Show SMILES [I-].CC(N)CC[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H25N6O3S/c1-8(16)3-4-25(2)5-9-11(22)12(23)15(24-9)21-7-20-10-13(17)18-6-19-14(10)21/h6-9,11-12,15,22-23H,3-5,16H2,1-2H3,(H2,17,18,19)/q+1/t8?,9-,11-,12-,15?,25?/m1/s1
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Article
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition against S-adenosyl-L-methionine decarboxylase from rat liver


J Med Chem 23: 121-7 (1980)


Article DOI: 10.1021/jm00176a004
BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50366973
PNG
(CHEMBL3392182 | CHEMBL539876)
Show SMILES [I-].C[S+](CCC(C)(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N6O5S/c1-16(18,15(25)26)3-4-28(2)5-8-10(23)11(24)14(27-8)22-7-21-9-12(17)19-6-20-13(9)22/h6-8,10-11,14,23-24H,3-5,18H2,1-2H3,(H2-,17,19,20,25,26)/p+1/t8-,10-,11-,14?,16?,28?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition against S-adenosyl-L-methionine decarboxylase from rat liver


J Med Chem 23: 121-7 (1980)


Article DOI: 10.1021/jm00176a004
BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%