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PubMed code 18189347

Compile data set for download or QSAR
Found 12 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
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM21337
PNG
(6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r|
Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
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190 -42.2n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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PubMed
840 -38.2n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine-5'-phosphate decarboxylase


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21340
PNG
(6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
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PubMed
1.10E+3 -35.4n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotidine-5'-phosphate decarboxylase


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21337
PNG
(6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r|
Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
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2.00E+3 -33.8n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotidine-5'-phosphate decarboxylase


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21338
PNG
(6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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2.10E+3 -33.7n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM21340
PNG
(6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
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1.24E+4 -30.8n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine-5'-phosphate decarboxylase


(Plasmodium vivax (malaria parasite P. vivax))
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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2.24E+4n/an/an/an/an/an/a7.5n/a



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
Orotidine-5'-phosphate decarboxylase


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21335
PNG
(6-cyanouridine 5-monophosphate | C6-Uridine Deriva...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r|
Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
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PubMed
2.60E+4 -27.2n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM21335
PNG
(6-cyanouridine 5-monophosphate | C6-Uridine Deriva...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r|
Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
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PubMed
2.90E+4 -28.5n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine-5'-phosphate decarboxylase


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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3.41E+4 -26.5n/an/an/an/an/a7.537



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Orotidine-5'-phosphate decarboxylase


(Plasmodium vivax (malaria parasite P. vivax))
BDBM21335
PNG
(6-cyanouridine 5-monophosphate | C6-Uridine Deriva...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r|
Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
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6.20E+4n/an/an/an/an/an/a7.5n/a



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase


(Methanobacterium thermoautotrophicum)
BDBM21339
PNG
(6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...)
Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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1.34E+5 -24.3n/an/an/an/an/a7.555



Toronto General Research Institute



Assay Description
An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...


J Med Chem 51: 439-48 (2008)


Article DOI: 10.1021/jm7010673
BindingDB Entry DOI: 10.7270/Q27H1GWS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%