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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 7748   
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))
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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

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


Bioorg Med Chem Lett 17: 3835-9 (2007)

More data for this
Ligand-Target Pair