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Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P07379   
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
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
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3.70E+4 -6.04n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
OAA/PEP binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
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4.50E+4 -5.93n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
OAA/PEP binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM GTP...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
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8.30E+4 -5.56n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
Allosteric binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5)...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
PDB

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8.30E+4 -5.56n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
OAA/PEP binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
PDB

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1.21E+5 -5.34n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
Allosteric binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM ...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM223202
PNG
(β,γ-methyleneguanosine 5′-triphosp...)
Show SMILES Nc1nc([O-])c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C[P+](O)(O)[O-])[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/p-1/t4-,6-,7-,10-/m1/s1
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1.50E+5n/an/an/an/an/an/an/an/a



University of Waterloo



Assay Description
The inhibition of H477R PEPCK by β-sulfopyruvate (βSP), oxalate, and GMPPCP was conducted in the direction of PEP synthesis (OAA → PE...


Biochemistry 56: 2106-2115 (2017)


Article DOI: 10.1021/acs.biochem.7b00178
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM181109
PNG
(3-Mercaptopicolinic acid (MPA))
Show SMILES OC(=O)c1ncccc1S
Show InChI InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
PDB

UniProtKB/SwissProt

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1.80E+5 -5.11n/an/an/an/an/an/a25



The University of Kansas Medical Center



Assay Description
Allosteric binding site. When the enzyme was assayed in the direction of PEP →OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5)...


Biochemistry 54: 5878-87 (2015)


Article DOI: 10.1021/acs.biochem.5b00822
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)