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Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P03962   
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
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50199178
PNG
(1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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0.00880n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase


Bioorg Med Chem 18: 4032-41 (2010)


Article DOI: 10.1016/j.bmc.2010.04.017
BindingDB Entry DOI: 10.7270/Q24T6KBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50199178
PNG
(1-beta-D-ribofuranosyl(3H)pyrimidine-2,4,6-trione ...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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0.00900n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase after overnight incubation at room temperature by VP-ITC microcalorimetry


Bioorg Med Chem 18: 4032-41 (2010)


Article DOI: 10.1016/j.bmc.2010.04.017
BindingDB Entry DOI: 10.7270/Q24T6KBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50378784
PNG
(CHEMBL1164953)
Show SMILES NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1
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5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase after overnight incubation at room temperature by VP-ITC microcalorimetry


Bioorg Med Chem 18: 4032-41 (2010)


Article DOI: 10.1016/j.bmc.2010.04.017
BindingDB Entry DOI: 10.7270/Q24T6KBX
More data for this
Ligand-Target Pair
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
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
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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64n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae ODCase at 25 degreeC by competitive binding assay


J Med Chem 49: 4937-45 (2006)


Article DOI: 10.1021/jm060202r
BindingDB Entry DOI: 10.7270/Q2J9676J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orotidine phosphate decarboxylase


(Saccharomyces cerevisiae)
BDBM50231945
PNG
(CHEMBL253328 | xanthosine-5'-monophosphate disodiu...)
Show SMILES O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p-2/t3-,5-,6-,9-/m1/s1
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400n/an/an/an/an/an/an/an/a



Toronto General Research Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast ODCase


J Med Chem 51: 432-8 (2008)


Article DOI: 10.1021/jm700968x
BindingDB Entry DOI: 10.7270/Q2FT8MW2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)