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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Oxaloacetate decarboxylase (PA4872)'   
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
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
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PC cid
PC sid
PDB
UniChem
Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92965
PNG
(3,3-Difluoroxaloacetate)
Show SMILES OC(O)(C([O-])=O)C(F)(F)C([O-])=O
Show InChI InChI=1S/C4H4F2O6/c5-3(6,1(7)8)4(11,12)2(9)10/h11-12H,(H,7,8)(H,9,10)/p-2
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4.50E+5n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92966
PNG
(Acetopyruvate)
Show SMILES CC(=O)CC(=O)C([O-])=O
Show InChI InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)/p-1
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UniChem
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5.60E+5n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92966
PNG
(Acetopyruvate)
Show SMILES CC(=O)CC(=O)C([O-])=O
Show InChI InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)/p-1
PDB
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KEGG

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UniChem
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PubMed
1.09E+6n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM92967
PNG
(Phosphonopyruvate)
Show SMILES [O-]C(=O)C(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)/p-3
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3.00E+6n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50273976
PNG
(2-oxopentanoate | 2-oxovalerate | alpha-ketovalera...)
Show SMILES CCCC(=O)C([O-])=O
Show InChI InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1
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KEGG

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3.20E+6n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50273976
PNG
(2-oxopentanoate | 2-oxovalerate | alpha-ketovalera...)
Show SMILES CCCC(=O)C([O-])=O
Show InChI InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1
PDB
MMDB

KEGG

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UniChem

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PubMed
6.70E+6n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair
Oxaloacetate decarboxylase (PA4872)


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
7.20E+6n/an/an/an/an/an/an/an/a



University of Maryland Biotechnology Institute



Assay Description
Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.


Biochemistry 47: 167-82 (2008)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q20V8BDS
More data for this
Ligand-Target Pair