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Found 15 hits Enz. Inhib. hit(s) with Target = 'Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
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 -25.3n/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...


Citation and Details
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 -24.8n/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...


Citation and Details
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 -23.3n/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...


Citation and Details
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 -23.3n/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)...


Citation and Details
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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1.21E+5 -22.4n/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 ...


Citation and Details
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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1.80E+5 -21.4n/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)...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214010
PNG
(CHEMBL244165 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES CC(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C25H24FN5O3/c1-15(32)27-19-10-8-16(9-11-19)12-21-28-22-23(29-21)30(13-17-6-7-17)25(34)31(24(22)33)14-18-4-2-3-5-20(18)26/h2-5,8-11,17H,6-7,12-14H2,1H3,(H,27,32)(H,28,29)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214003
PNG
(CHEMBL243134 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C27H26FN7O4S/c1-33-16-21(13-29-33)40(38,39)32-20-10-8-17(9-11-20)12-23-30-24-25(31-23)34(14-18-6-7-18)27(37)35(26(24)36)15-19-4-2-3-5-22(19)28/h2-5,8-11,13,16,18,32H,6-7,12,14-15H2,1H3,(H,30,31)
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n/an/an/an/a 8.75E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214016
PNG
(CHEMBL243342 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Cc1nc(N)sc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C27H26FN7O4S2/c1-15-25(40-26(29)30-15)41(38,39)33-19-10-8-16(9-11-19)12-21-31-22-23(32-21)34(13-17-6-7-17)27(37)35(24(22)36)14-18-4-2-3-5-20(18)28/h2-5,8-11,17,33H,6-7,12-14H2,1H3,(H2,29,30)(H,31,32)
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n/an/an/an/a 8.20E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214013
PNG
(CHEMBL242486 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Fc1ccccc1Cn1c(=O)n(CC2CC2)c2nc(Cc3ccc(NS(=O)(=O)c4cccnc4)cc3)[nH]c2c1=O
Show InChI InChI=1S/C28H25FN6O4S/c29-23-6-2-1-4-20(23)17-35-27(36)25-26(34(28(35)37)16-19-7-8-19)32-24(31-25)14-18-9-11-21(12-10-18)33-40(38,39)22-5-3-13-30-15-22/h1-6,9-13,15,19,33H,7-8,14,16-17H2,(H,31,32)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214012
PNG
(CHEMBL394368 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C28H27FN6O5S/c1-16-25(17(2)40-32-16)41(38,39)33-21-11-9-18(10-12-21)13-23-30-24-26(31-23)34(14-19-7-8-19)28(37)35(27(24)36)15-20-5-3-4-6-22(20)29/h3-6,9-12,19,33H,7-8,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214007
PNG
(CHEMBL394621 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C28H28FN7O4S/c1-17-23(16-34(2)32-17)41(39,40)33-21-11-9-18(10-12-21)13-24-30-25-26(31-24)35(14-19-7-8-19)28(38)36(27(25)37)15-20-5-3-4-6-22(20)29/h3-6,9-12,16,19,33H,7-8,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 5.57E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214004
PNG
(CHEMBL243116 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...)
Show SMILES CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Show InChI InChI=1S/C28H29ClFN7O4S/c1-4-5-14-36-26-23(27(38)37(28(36)39)16-19-8-6-7-9-21(19)30)31-22(32-26)15-18-10-12-20(13-11-18)34-42(40,41)24-17(2)33-35(3)25(24)29/h6-13,34H,4-5,14-16H2,1-3H3,(H,31,32)
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n/an/an/an/a 3.97E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50214001
PNG
(CHEMBL389494 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...)
Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C28H27ClFN7O4S/c1-16-24(25(29)35(2)33-16)42(40,41)34-20-11-9-17(10-12-20)13-22-31-23-26(32-22)36(14-18-7-8-18)28(39)37(27(23)38)15-19-5-3-4-6-21(19)30/h3-6,9-12,18,34H,7-8,13-15H2,1-2H3,(H,31,32)
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n/an/an/an/a 2.17E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK)


(Rattus norvegicus (Rat))
BDBM50133801
PNG
(CHEMBL120708 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...)
Show SMILES CCCCn1c2nc(Cc3ccc(NC(C)=O)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Show InChI InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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n/an/an/an/a 8.60E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)