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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine decarboxylase 1'   
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


(Homo sapiens (human))
BDBM28421
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
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n/an/a 7n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28447
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CNCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O3/c1-7-20-9-12(15)18-6-19-13(9)21(7)14-11(23)10(22)8(24-14)5-17-4-3-16-2/h6,8,10-11,14,16-17,22-23H,3-5H2,1-2H3,(H2,15,18,19)/t8-,10-,11-,14-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28424
PNG
((2R,3R,4S,5R)-2-(6-amino-8-phenyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H25N7O4/c1-25(7-8-29-21)9-12-14(27)15(28)19(30-12)26-17(11-5-3-2-4-6-11)24-13-16(20)22-10-23-18(13)26/h2-6,10,12,14-15,19,27-28H,7-9,21H2,1H3,(H2,20,22,23)/t12-,14-,15-,19-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28425
PNG
((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...)
Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H28N8O4/c1-19-16-22-10-13(17)20-8-21-14(10)24(16)15-12(26)11(25)9(28-15)7-23(2)5-3-4-6-27-18/h8-9,11-12,15,25-26H,3-7,18H2,1-2H3,(H,19,22)(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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n/an/a 49n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28426
PNG
((2R,3R,4S,5R)-2-(6-amino-8-phenyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C21H29N7O4/c1-27(9-5-6-10-31-23)11-14-16(29)17(30)21(32-14)28-19(13-7-3-2-4-8-13)26-15-18(22)24-12-25-20(15)28/h2-4,7-8,12,14,16-17,21,29-30H,5-6,9-11,23H2,1H3,(H2,22,24,25)/t14-,16-,17-,21-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28427
PNG
((2R,3R,4S,5R)-2-(6-amino-8-hydroxy-9H-purin-9-yl)-...)
Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncnc(N)c2[nH]c1=O
Show InChI InChI=1S/C15H25N7O5/c1-21(4-2-3-5-26-17)6-8-10(23)11(24)14(27-8)22-13-9(20-15(22)25)12(16)18-7-19-13/h7-8,10-11,14,23-24H,2-6,17H2,1H3,(H,20,25)(H2,16,18,19)/t8-,10-,11-,14-/m1/s1
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n/an/a 11n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28428
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C16H27N7O4/c1-9-21-11-14(17)19-8-20-15(11)23(9)16-13(25)12(24)10(27-16)7-22(2)5-3-4-6-26-18/h8,10,12-13,16,24-25H,3-7,18H2,1-2H3,(H2,17,19,20)/t10-,12-,13-,16-/m1/s1
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n/an/a 5n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28429
PNG
((2R,3R,4S,5R)-2-(6-amino-8-ethyl-9H-purin-9-yl)-5-...)
Show SMILES CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H29N7O4/c1-3-11-22-12-15(18)20-9-21-16(12)24(11)17-14(26)13(25)10(28-17)8-23(2)6-4-5-7-27-19/h9-10,13-14,17,25-26H,3-8,19H2,1-2H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1
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n/an/a 15n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28430
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[4-(am...)
Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H25N7O4/c1-21(4-2-3-5-25-17)6-9-11(23)12(24)15(26-9)22-8-20-10-13(16)18-7-19-14(10)22/h7-9,11-12,15,23-24H,2-6,17H2,1H3,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 18n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28431
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[2-(am...)
Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
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n/an/a 55n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28432
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...)
Show SMILES CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1
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n/an/a 400n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28433
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-8-ethyl-9H-purin-9-y...)
Show SMILES CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(N)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H25N7O4/c1-3-10-21-11-14(18)19-7-20-15(11)23(10)16-13(26)12(25)8(27-16)6-22(2)5-4-9(17)24/h7-8,12-13,16,25-26H,3-6H2,1-2H3,(H2,17,24)(H2,18,19,20)/t8-,12-,13-,16-/m1/s1
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n/an/a 4.00E+3n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28434
PNG
(2-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...)
Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(N)=O
Show InChI InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28435
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...)
Show SMILES CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N7O4/c1-20(3-2-8(15)22)4-7-10(23)11(24)14(25-7)21-6-19-9-12(16)17-5-18-13(9)21/h5-7,10-11,14,23-24H,2-4H2,1H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
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n/an/a 7.00E+3n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28436
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...)
Show SMILES CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C15H24N8O4/c1-7-20-10-13(16)18-6-19-14(10)23(7)15-12(26)11(25)8(27-15)5-22(2)4-3-9(24)21-17/h6,8,11-12,15,25-26H,3-5,17H2,1-2H3,(H,21,24)(H2,16,18,19)/t8-,11-,12-,15-/m1/s1
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n/an/a 170n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28437
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...)
Show SMILES CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N8O4/c1-21(3-2-8(23)20-16)4-7-10(24)11(25)14(26-7)22-6-19-9-12(15)17-5-18-13(9)22/h5-7,10-11,14,24-25H,2-4,16H2,1H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
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n/an/a 1.50E+3n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28438
PNG
(2-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...)
Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(=O)NN
Show InChI InChI=1S/C14H22N8O4/c1-6-19-9-12(15)17-5-18-13(9)22(6)14-11(25)10(24)7(26-14)3-21(2)4-8(23)20-16/h5,7,10-11,14,24-25H,3-4,16H2,1-2H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
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n/an/a 3.10E+4n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28439
PNG
((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...)
Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H26N8O3/c1-18-15-21-9-12(17)19-7-20-13(9)23(15)14-11(25)10(24)8(26-14)6-22(2)5-3-4-16/h7-8,10-11,14,24-25H,3-6,16H2,1-2H3,(H,18,21)(H2,17,19,20)/t8-,10-,11-,14-/m1/s1
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n/an/a 4.40E+5n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28440
PNG
((2R,3R,4S,5R)-2-(6-amino-8-phenyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H27N7O3/c1-26(9-5-8-21)10-13-15(28)16(29)20(30-13)27-18(12-6-3-2-4-7-12)25-14-17(22)23-11-24-19(14)27/h2-4,6-7,11,13,15-16,20,28-29H,5,8-10,21H2,1H3,(H2,22,23,24)/t13-,15-,16-,20-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
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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n/an/a 5.00E+5n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28442
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(2-ami...)
Show SMILES CN(CCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N7O3/c1-19(3-2-14)4-7-9(21)10(22)13(23-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,14H2,1H3,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28443
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C14H23N7O3/c1-7-19-9-12(16)17-6-18-13(9)21(7)14-11(23)10(22)8(24-14)5-20(2)4-3-15/h6,8,10-11,14,22-23H,3-5,15H2,1-2H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1
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n/an/a 8.80E+4n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28444
PNG
((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...)
Show SMILES CNCCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NC)nc2c(N)ncnc12
Show InChI InChI=1S/C15H26N8O3/c1-17-4-3-5-19-6-8-10(24)11(25)14(26-8)23-13-9(22-15(23)18-2)12(16)20-7-21-13/h7-8,10-11,14,17,19,24-25H,3-6H2,1-2H3,(H,18,22)(H2,16,20,21)/t8-,10-,11-,14-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28445
PNG
((2R,3R,4S,5R)-2-(6-amino-8-phenyl-9H-purin-9-yl)-5...)
Show SMILES CNCCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H27N7O3/c1-22-8-5-9-23-10-13-15(28)16(29)20(30-13)27-18(12-6-3-2-4-7-12)26-14-17(21)24-11-25-19(14)27/h2-4,6-7,11,13,15-16,20,22-23,28-29H,5,8-10H2,1H3,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28446
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[2-(me...)
Show SMILES CNCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N7O3/c1-15-2-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(14)17-5-18-12(8)20/h5-7,9-10,13,15-16,21-22H,2-4H2,1H3,(H2,14,17,18)/t7-,9-,10-,13-/m1/s1
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n/an/an/an/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28423
PNG
((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...)
Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H24N8O4/c1-17-14-20-8-11(15)18-6-19-12(8)22(14)13-10(24)9(23)7(26-13)5-21(2)3-4-25-16/h6-7,9-10,13,23-24H,3-5,16H2,1-2H3,(H,17,20)(H2,15,18,19)/t7-,9-,10-,13-/m1/s1
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n/an/a 86n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)


Article DOI: 10.1021/jm801126a
BindingDB Entry DOI: 10.7270/Q2222S3J
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50369827
PNG
(CHEMBL611536)
Show SMILES NCCC=NC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
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)


Article DOI: 10.1021/jm000084m
BindingDB Entry DOI: 10.7270/Q28S4QNR
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50046201
PNG
((2E)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}...)
Show SMILES CC(C=NNC(N)=N)=NN=C(N)N
Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)
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>1.00E+3n/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)


Article DOI: 10.1021/jm000084m
BindingDB Entry DOI: 10.7270/Q28S4QNR
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50403124
PNG
(CHEMBL2115571)
Show SMILES C[S+](CCC(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)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated to inactivate the bacterial AdoMet-DC; value ranges from 3.8 to 39.6 uM


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50281293
PNG
(2-amino-5-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...)
Show SMILES Br.[Br-].C[S+](CCCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N7O3S/c1-27(4-2-3-9(18)5-17)6-10-12(24)13(25)16(26-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-4,6,18H2,1H3,(H2,19,20,21)/q+1/p+1/t9?,10-,12-,13-,16?,27?/m1/s1
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7.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated to inactivate the human AdoMet-DC


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50403124
PNG
(CHEMBL2115571)
Show SMILES C[S+](CCC(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)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
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1.07E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated to inactivate the human AdoMet-DC; value ranges from 10.7 to 62.7 uM


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50403124
PNG
(CHEMBL2115571)
Show SMILES C[S+](CCC(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)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
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1.07E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated to inactivate the bacterial AdoMet-DC; value ranges from 3.8 to 39.6 uM


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50366321
PNG
(CHEMBL3392203 | CHEMBL606101)
Show SMILES OS(O)(=O)=O.OS([O-])(=O)=O.C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1C[C@@H](N)C=C1
Show InChI InChI=1S/C16H23N6O3S/c1-26(9-3-2-8(17)4-9)5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5,17H2,1H3,(H2,18,19,20)/q+1/p+1/t8-,9?,10+,12+,13+,16?,26?/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli


Bioorg Med Chem Lett 3: 147-152 (1993)


Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50034925
PNG
(CHEMBL299398 | O-{(1S,4S)-4-[6-(6-Amino-purin-9-yl...)
Show SMILES CC1(C)OC2C(CS[C@H]3C[C@H](ON)C=C3)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H24N6O4S/c1-18(2)26-13-11(6-29-10-4-3-9(5-10)28-20)25-17(14(13)27-18)24-8-23-12-15(19)21-7-22-16(12)24/h3-4,7-11,13-14,17H,5-6,20H2,1-2H3,(H2,19,21,22)/t9-,10-,11?,13?,14?,17?/m1/s1
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2.12E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50368997
PNG
(CHEMBL1791422)
Show SMILES C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@@H](O[NH3+])C=C1
Show InChI InChI=1S/C16H24N6O4S/c1-27(9-3-2-8(4-9)26-18)5-10-12(23)13(24)16(25-10)22-7-21-11-14(17)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5H2,1,18H3,(H2,17,19,20)/q+2/t8-,9-,10+,12+,13+,16+,27?/m0/s1
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2.12E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
compound was evaluated for the inhibitor constant against human S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50034925
PNG
(CHEMBL299398 | O-{(1S,4S)-4-[6-(6-Amino-purin-9-yl...)
Show SMILES CC1(C)OC2C(CS[C@H]3C[C@H](ON)C=C3)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H24N6O4S/c1-18(2)26-13-11(6-29-10-4-3-9(5-10)28-20)25-17(14(13)27-18)24-8-23-12-15(19)21-7-22-16(12)24/h3-4,7-11,13-14,17H,5-6,20H2,1-2H3,(H2,19,21,22)/t9-,10-,11?,13?,14?,17?/m1/s1
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2.12E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50368997
PNG
(CHEMBL1791422)
Show SMILES C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@@H](O[NH3+])C=C1
Show InChI InChI=1S/C16H24N6O4S/c1-27(9-3-2-8(4-9)26-18)5-10-12(23)13(24)16(25-10)22-7-21-11-14(17)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5H2,1,18H3,(H2,17,19,20)/q+2/t8-,9-,10+,12+,13+,16+,27?/m0/s1
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2.15E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50368996
PNG
(CHEMBL1791421)
Show SMILES C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O[NH3+])C=C1
Show InChI InChI=1S/C16H24N6O4S/c1-27(9-3-2-8(4-9)26-18)5-10-12(23)13(24)16(25-10)22-7-21-11-14(17)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5H2,1,18H3,(H2,17,19,20)/q+2/t8-,9-,10-,12-,13-,16-,27?/m1/s1
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2.37E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50368996
PNG
(CHEMBL1791421)
Show SMILES C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O[NH3+])C=C1
Show InChI InChI=1S/C16H24N6O4S/c1-27(9-3-2-8(4-9)26-18)5-10-12(23)13(24)16(25-10)22-7-21-11-14(17)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5H2,1,18H3,(H2,17,19,20)/q+2/t8-,9-,10-,12-,13-,16-,27?/m1/s1
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2.37E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50281292
PNG
(2-amino-4-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...)
Show SMILES Br.[Br-].C[S+](CCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N7O3S/c1-26(3-2-8(17)4-16)5-9-11(23)12(24)15(25-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-3,5,17H2,1H3,(H2,18,19,20)/q+1/p+1/t8?,9-,11-,12-,15?,26?/m1/s1
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3.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated to inactivate the bacterial AdoMet-DC


Bioorg Med Chem Lett 3: 2811-2816 (1993)


Article DOI: 10.1016/S0960-894X(01)80770-8
BindingDB Entry DOI: 10.7270/Q2TH8N6T
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50367078
PNG
(CHEMBL610704)
Show SMILES NCCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50367079
PNG
(CHEMBL610141)
Show SMILES NCCNC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50367076
PNG
(CHEMBL611588)
Show SMILES NC(N)=NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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)


Article DOI: 10.1021/jm00347a014
BindingDB Entry DOI: 10.7270/Q2VX0H37
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM50034927
PNG
(CHEMBL48973 | O-{(1R,4R)-4-[6-(6-Amino-purin-9-yl)...)
Show SMILES CC1(C)OC2C(CS[C@@H]3C[C@@H](ON)C=C3)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H24N6O4S/c1-18(2)26-13-11(6-29-10-4-3-9(5-10)28-20)25-17(14(13)27-18)24-8-23-12-15(19)21-7-22-16(12)24/h3-4,7-11,13-14,17H,5-6,20H2,1-2H3,(H2,19,21,22)/t9-,10-,11?,13?,14?,17?/m0/s1
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9.52E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
compound was evaluated for the inhibitory constant against human S-adenosyl-L-methionine decarboxylase


J Med Chem 38: 1770-7 (1995)


Article DOI: 10.1021/jm00010a021
BindingDB Entry DOI: 10.7270/Q2X92BX3
More data for this
Ligand-Target Pair
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