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PubMed code 19209891

Compile data set for download or QSAR
Found 34 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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28452
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C13H20N6O3/c1-6-17-8-11(14)15-5-16-12(8)19(6)13-10(21)9(20)7(22-13)4-18(2)3/h5,7,9-10,13,20-21H,4H2,1-3H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28454
PNG
(AdoMet substrate analogue, 25b | {[(2S,3S,4R,5R)-5...)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C13H20N5O3S/c1-6-17-8-11(14)15-5-16-12(8)18(6)13-10(20)9(19)7(21-13)4-22(2)3/h5,7,9-10,13,19-20H,4H2,1-3H3,(H2,14,15,16)/q+1/t7-,9-,10-,13-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28453
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-[(dimeth...)
Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



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 proenzyme


(Homo sapiens (Human))		BDBM28455
PNG
(AdoMet substrate analogue, 25d | {[(2S,3S,4R,5R)-5...)
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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n/an/a 1.50E+4n/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28448
PNG
((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...)
Show SMILES CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
Show InChI InChI=1S/C15H25N7O3/c1-8-20-10-13(17)18-7-19-14(10)22(8)15-12(24)11(23)9(25-15)6-21(2)5-3-4-16/h7,9,11-12,15,23-24H,3-6,16H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28451
PNG
(3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...)
Show SMILES CN(CCC(=N)NO)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(15)20-25)4-7-10(23)11(24)14(26-7)22-6-19-9-12(16)17-5-18-13(9)22/h5-7,10-11,14,23-25H,2-4H2,1H3,(H2,15,20)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
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n/an/a 1.57E+5n/an/an/an/an/an/a



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 proenzyme


(Homo sapiens (Human))		BDBM28449
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)CCCN)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H27N7O3/c1-3-10-21-11-14(18)19-8-20-15(11)23(10)16-13(25)12(24)9(26-16)7-22(2)6-4-5-17/h8-9,12-13,16,24-25H,3-7,17H2,1-2H3,(H2,18,19,20)/t9-,12-,13-,16-/m1/s1
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n/an/a 4.20E+5n/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(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 proenzyme


(Homo sapiens (Human))		BDBM28450
PNG
(3-[2-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,...)
Show SMILES [#6]-[#7](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12
Show InChI InChI=1S/C14H23N9O3/c1-22(3-2-18-14(16)17)4-7-9(24)10(25)13(26-7)23-6-21-8-11(15)19-5-20-12(8)23/h5-7,9-10,13,24-25H,2-4H2,1H3,(H2,15,19,20)(H4,16,17,18)/t7-,9-,10-,13-/m1/s1
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n/an/an/an/an/an/an/an/an/a



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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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 proenzyme


(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
* indicates data uncertainty>20%