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Compile Data Set for Download or QSAR

Found 22 hits of ki for UniProtKB: P17708   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50369827
PNG
(CHEMBL611536)
Show SMILES NCCC=NC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r,w:3.2|
Show InChI InChI=1S/C13H19N7O3/c14-2-1-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(15)17-5-18-12(8)20/h3,5-7,9-10,13,21-22H,1-2,4,14H2,(H2,15,17,18)/t7-,9-,10-,13?/m0/s1
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560n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme


J Med Chem 44: 1-26 (2001)


BindingDB Entry DOI: 10.7270/Q28S4QNR
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50366942
PNG
(CHEMBL540135)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50291721
PNG
((3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd...)
Show SMILES C[S+](CCCN)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14?,24?/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50366942
PNG
(CHEMBL540135)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50291721
PNG
((3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd...)
Show SMILES C[S+](CCCN)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14?,24?/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367078
PNG
(CHEMBL610704)
Show SMILES NCCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H21N7O3/c14-2-1-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,16,21-22H,1-4,14H2,(H2,15,17,18)/t7-,9-,10-,13?/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28441
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(3-ami...)
Show SMILES 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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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367079
PNG
(CHEMBL610141)
Show SMILES NCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N7O3/c13-1-2-15-3-6-8(20)9(21)12(22-6)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12,15,20-21H,1-3,13H2,(H2,14,16,17)/t6-,8-,9-,12?/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367076
PNG
(CHEMBL611588)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6@H]-1-[#8]-[#6](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12 |r|
Show InChI InChI=1S/C11H16N8O3/c12-8-5-9(17-2-16-8)19(3-18-5)10-7(21)6(20)4(22-10)1-15-11(13)14/h2-4,6-7,10,20-21H,1H2,(H2,12,16,17)(H4,13,14,15)/t4-,6-,7-,10?/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(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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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)


BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C24X0D
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367077
PNG
(CHEMBL611902)
Show SMILES CN(CCC#N)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H19N7O3/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,2,4-5H2,1H3,(H2,16,17,18)/t8-,10-,11-,14?/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM28441
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(3-ami...)
Show SMILES 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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3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367079
PNG
(CHEMBL610141)
Show SMILES NCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H19N7O3/c13-1-2-15-3-6-8(20)9(21)12(22-6)19-5-18-7-10(14)16-4-17-11(7)19/h4-6,8-9,12,15,20-21H,1-3,13H2,(H2,14,16,17)/t6-,8-,9-,12?/m1/s1
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5.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367080
PNG
(CHEMBL610142)
Show SMILES CNCCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N7O3/c1-16-3-2-4-17-5-8-10(22)11(23)14(24-8)21-7-20-9-12(15)18-6-19-13(9)21/h6-8,10-11,14,16-17,22-23H,2-5H2,1H3,(H2,15,18,19)/t8-,10-,11-,14?/m1/s1
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6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367076
PNG
(CHEMBL611588)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6@H]-1-[#8]-[#6](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12 |r|
Show InChI InChI=1S/C11H16N8O3/c12-8-5-9(17-2-16-8)19(3-18-5)10-7(21)6(20)4(22-10)1-15-11(13)14/h2-4,6-7,10,20-21H,1H2,(H2,12,16,17)(H4,13,14,15)/t4-,6-,7-,10?/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme


(Rattus norvegicus)
BDBM50367077
PNG
(CHEMBL611902)
Show SMILES CN(CCC#N)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H19N7O3/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,2,4-5H2,1H3,(H2,16,17,18)/t8-,10-,11-,14?/m1/s1
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2.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine


J Med Chem 25: 550-6 (1982)


BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair