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PubMed code 18952447

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35353
PNG
(indole-2-carboxamide derivative, 25e (R-isomer))
Show SMILES O[C@@H]1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F |r|
Show InChI InChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28)/t17-/m1/s1
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Article
PubMed
n/an/a 20n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35351
PNG
(indole-2-carboxamide derivative, 25e)
Show SMILES OC1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F
Show InChI InChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28)
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PubMed
n/an/a 36n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35350
PNG
(indole-2-carboxamide derivative, 25d)
Show SMILES OC1c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F
Show InChI InChI=1S/C19H14ClF3N2O2/c20-10-1-3-13-9(7-10)8-15(24-13)18(27)25-14-4-2-12-11(16(14)21)5-6-19(22,23)17(12)26/h1-4,7-8,17,24,26H,5-6H2,(H,25,27)
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PubMed
n/an/a 48n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35349
PNG
(indole-2-carboxamide derivative, 25c)
Show SMILES OC1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2CCC1(F)F
Show InChI InChI=1S/C19H14ClF3N2O2/c20-11-1-2-14-10(5-11)7-16(24-14)18(27)25-15-6-9-3-4-19(22,23)17(26)12(9)8-13(15)21/h1-2,5-8,17,24,26H,3-4H2,(H,25,27)
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PubMed
n/an/a 63n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35345
PNG
(indole-2-carboxamide derivative, 15)
Show SMILES OC1c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2CCC1(F)F
Show InChI InChI=1S/C19H15ClF2N2O2/c20-12-1-4-15-11(7-12)9-16(24-15)18(26)23-13-2-3-14-10(8-13)5-6-19(21,22)17(14)25/h1-4,7-9,17,24-25H,5-6H2,(H,23,26)
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PubMed
n/an/a 68n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35352
PNG
(indole-2-carboxamide derivative, 25e (S-isomer))
Show SMILES O[C@H]1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F |r|
Show InChI InChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28)/t17-/m0/s1
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PubMed
n/an/a 160n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35339
PNG
(indole-2-carboxamide derivative, 5b)
Show SMILES OC1CCCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
Show InChI InChI=1S/C19H17ClN2O2/c20-13-4-7-16-12(8-13)10-17(22-16)19(24)21-14-5-6-15-11(9-14)2-1-3-18(15)23/h4-10,18,22-23H,1-3H2,(H,21,24)
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n/an/a 320n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35338
PNG
(indole-2-carboxamide derivative, 3)
Show SMILES OC1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
Show InChI InChI=1S/C18H15ClN2O2/c19-12-2-5-15-11(7-12)9-16(21-15)18(23)20-13-3-4-14-10(8-13)1-6-17(14)22/h2-5,7-9,17,21-22H,1,6H2,(H,20,23)
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PubMed
n/an/a 440n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35348
PNG
(indole-2-carboxamide derivative, 25b)
Show SMILES COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc2C(O)C(F)(F)CCc12
Show InChI InChI=1S/C20H17ClF2N2O3/c1-28-17-12-6-7-20(22,23)18(26)13(12)3-5-15(17)25-19(27)16-9-10-8-11(21)2-4-14(10)24-16/h2-5,8-9,18,24,26H,6-7H2,1H3,(H,25,27)
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PubMed
n/an/a 590n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35343
PNG
(indole-2-carboxamide derivative, 9b | trans-isomer...)
Show SMILES O[C@H]1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@@H]1O |r|
Show InChI InChI=1S/C19H17ClN2O3/c20-12-2-5-15-11(7-12)9-16(22-15)19(25)21-13-3-4-14-10(8-13)1-6-17(23)18(14)24/h2-5,7-9,17-18,22-24H,1,6H2,(H,21,25)/t17-,18-/m0/s1
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PubMed
n/an/a 800n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35347
PNG
(indole-2-carboxamide derivative, 25a)
Show SMILES COc1cc2C(O)C(F)(F)CCc2cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H17ClF2N2O3/c1-28-17-9-13-10(4-5-20(22,23)18(13)26)7-15(17)25-19(27)16-8-11-6-12(21)2-3-14(11)24-16/h2-3,6-9,18,24,26H,4-5H2,1H3,(H,25,27)
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PubMed
n/an/a 810n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35341
PNG
(indole-2-carboxamide derivative, 7)
Show SMILES Oc1cccc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
Show InChI InChI=1S/C19H13ClN2O2/c20-13-4-7-16-12(8-13)10-17(22-16)19(24)21-14-5-6-15-11(9-14)2-1-3-18(15)23/h1-10,22-23H,(H,21,24)
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PubMed
n/an/a 900n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
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PubMed
n/an/a 920n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35340
PNG
(indole-2-carboxamide derivative, 5c)
Show SMILES OC1CCCCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
Show InChI InChI=1S/C20H19ClN2O2/c21-14-5-8-17-13(9-14)11-18(23-17)20(25)22-15-6-7-16-12(10-15)3-1-2-4-19(16)24/h5-11,19,23-24H,1-4H2,(H,22,25)
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PubMed
n/an/a 1.20E+3n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35342
PNG
(cis-isomers | indole-2-carboxamide derivative, 9a)
Show SMILES O[C@@H]1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@@H]1O |r|
Show InChI InChI=1S/C19H17ClN2O3/c20-12-2-5-15-11(7-12)9-16(22-15)19(25)21-13-3-4-14-10(8-13)1-6-17(23)18(14)24/h2-5,7-9,17-18,22-24H,1,6H2,(H,21,25)/t17-,18+/m1/s1
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n/an/a 8.50E+3n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35344
PNG
(indole-2-carboxamide derivative, 12)
Show SMILES CC1(C)CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2C1O
Show InChI InChI=1S/C21H21ClN2O2/c1-21(2)8-7-12-10-15(4-5-16(12)19(21)25)23-20(26)18-11-13-9-14(22)3-6-17(13)24-18/h3-6,9-11,19,24-25H,7-8H2,1-2H3,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/a6.822



Astellas Pharma Inc.



Assay Description
The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH. Enzyme activity was assayed...


Bioorg Med Chem 16: 10001-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.021
BindingDB Entry DOI: 10.7270/Q2K072MF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%