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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 3494   
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))
BDBM35636
PNG
(5-chloroindolecarboxamide, 13a)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)nc1
Show InChI InChI=1S/C16H14ClN3O3/c17-11-2-3-12-10(5-11)6-13(19-12)16(23)20-15-4-1-9(7-18-15)14(22)8-21/h1-7,14,19,21-22H,8H2,(H,18,20,23)
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n/an/a 250n/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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35633
PNG
(5-chloroindolecarboxamide, 9h)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O3/c19-10-1-4-14-9(5-10)6-15(24-14)17(27)23-11-2-3-12(16(26)8-25)13(7-11)18(20,21)22/h1-7,16,24-26H,8H2,(H,23,27)
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n/an/a 340n/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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35628
PNG
(5-chloroindolecarboxamide, 9c)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O3/c18-11-2-4-13-10(5-11)7-15(20-13)17(24)21-14-3-1-9(6-12(14)19)16(23)8-22/h1-7,16,20,22-23H,8H2,(H,21,24)
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n/an/a 420n/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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35638
PNG
(5-chloroindolecarboxamide, 13c)
Show SMILES OCC(O)c1cnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
Show InChI InChI=1S/C15H13ClN4O3/c16-9-1-2-10-8(3-9)4-11(19-10)15(23)20-14-6-17-12(5-18-14)13(22)7-21/h1-6,13,19,21-22H,7H2,(H,18,20,23)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35622
PNG
(5-chloroindolecarboxamide, 2f)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35629
PNG
(5-chloroindolecarboxamide, 9d)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N2O3/c19-11-2-4-13-10(5-11)7-15(23-13)17(27)24-14-3-1-9(16(26)8-25)6-12(14)18(20,21)22/h1-7,16,23,25-26H,8H2,(H,24,27)
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n/an/a 1.10E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35618
PNG
(5-chloroindolecarboxamide, 2b)
Show SMILES OCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C17H15ClN2O2/c18-13-3-6-15-12(9-13)10-16(20-15)17(22)19-14-4-1-11(2-5-14)7-8-21/h1-6,9-10,20-21H,7-8H2,(H,19,22)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35617
PNG
(5-chloroindolecarboxamide, 2a)
Show SMILES OCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21)
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n/an/a 1.60E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35635
PNG
(5-chloroindolecarboxamide, 9j)
Show SMILES Nc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1C(O)CO
Show InChI InChI=1S/C17H16ClN3O3/c18-10-1-4-14-9(5-10)6-15(21-14)17(24)20-11-2-3-12(13(19)7-11)16(23)8-22/h1-7,16,21-23H,8,19H2,(H,20,24)
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n/an/a 1.70E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35634
PNG
(5-chloroindolecarboxamide, 9i)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H14ClN3O5/c18-10-1-4-13-9(5-10)6-14(20-13)17(24)19-11-2-3-12(16(23)8-22)15(7-11)21(25)26/h1-7,16,20,22-23H,8H2,(H,19,24)
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n/an/a 2.10E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35630
PNG
(5-chloroindolecarboxamide, 9e)
Show SMILES COc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1C(O)CO
Show InChI InChI=1S/C18H17ClN2O4/c1-25-17-8-12(3-4-13(17)16(23)9-22)20-18(24)15-7-10-6-11(19)2-5-14(10)21-15/h2-8,16,21-23H,9H2,1H3,(H,20,24)
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n/an/a 2.50E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35626
PNG
(5-chloroindolecarboxamide, 9a)
Show SMILES Cc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)CO
Show InChI InChI=1S/C18H17ClN2O3/c1-10-6-11(17(23)9-22)2-4-14(10)21-18(24)16-8-12-7-13(19)3-5-15(12)20-16/h2-8,17,20,22-23H,9H2,1H3,(H,21,24)
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n/an/a 2.60E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35640
PNG
(5-chloroindolecarboxamide, 15b)
Show SMILES OCC(O)c1cnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)s1
Show InChI InChI=1S/C14H12ClN3O3S/c15-8-1-2-9-7(3-8)4-10(17-9)13(21)18-14-16-5-12(22-14)11(20)6-19/h1-5,11,17,19-20H,6H2,(H,16,18,21)
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n/an/a 3.10E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35627
PNG
(5-chloroindolecarboxamide, 9b)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(F)c1
Show InChI InChI=1S/C17H14ClFN2O3/c18-11-2-4-13-10(5-11)7-15(20-13)17(24)21-14-3-1-9(6-12(14)19)16(23)8-22/h1-7,16,20,22-23H,8H2,(H,21,24)
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n/an/a 3.20E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35632
PNG
(5-chloroindolecarboxamide, 9g)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1F
Show InChI InChI=1S/C17H14ClFN2O3/c18-10-1-4-14-9(5-10)6-15(21-14)17(24)20-11-2-3-12(13(19)7-11)16(23)8-22/h1-7,16,21-23H,8H2,(H,20,24)
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n/an/a 3.30E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35624
PNG
(5-chloroindolecarboxamide, 2h)
Show SMILES COCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H17ClN2O3/c1-24-10-17(22)11-2-5-14(6-3-11)20-18(23)16-9-12-8-13(19)4-7-15(12)21-16/h2-9,17,21-22H,10H2,1H3,(H,20,23)
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n/an/a 3.60E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35637
PNG
(5-chloroindolecarboxamide, 13b)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
Show InChI InChI=1S/C16H14ClN3O3/c17-10-1-3-12-9(5-10)6-14(20-12)16(23)19-11-2-4-13(18-7-11)15(22)8-21/h1-7,15,20-22H,8H2,(H,19,23)
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n/an/a 4.40E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35623
PNG
(5-chloroindolecarboxamide, 2g)
Show SMILES OCC(CO)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H17ClN2O3/c19-14-3-6-16-12(7-14)8-17(21-16)18(24)20-15-4-1-11(2-5-15)13(9-22)10-23/h1-8,13,21-23H,9-10H2,(H,20,24)
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n/an/a 5.80E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35621
PNG
(5-chloroindolecarboxamide, 2e)
Show SMILES OCCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
Show InChI InChI=1S/C17H15ClN2O2/c18-13-4-5-15-12(9-13)10-16(20-15)17(22)19-14-3-1-2-11(8-14)6-7-21/h1-5,8-10,20-21H,6-7H2,(H,19,22)
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n/an/a 6.20E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35631
PNG
(5-chloroindolecarboxamide, 9f)
Show SMILES OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1-c1ccccc1
Show InChI InChI=1S/C23H19ClN2O3/c24-16-6-9-20-15(10-16)11-21(26-20)23(29)25-17-7-8-18(22(28)13-27)19(12-17)14-4-2-1-3-5-14/h1-12,22,26-28H,13H2,(H,25,29)
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n/an/a 7.40E+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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35620
PNG
(5-chloroindolecarboxamide, 2d)
Show SMILES OCCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-6-15-12(9-13)10-16(19-15)17(22)20-14-4-2-1-3-11(14)7-8-21/h1-6,9-10,19,21H,7-8H2,(H,20,22)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35625
PNG
(5-chloroindolecarboxamide, 2i)
Show SMILES CC(C)(O)C(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C19H19ClN2O3/c1-19(2,25)17(23)11-3-6-14(7-4-11)21-18(24)16-10-12-9-13(20)5-8-15(12)22-16/h3-10,17,22-23,25H,1-2H3,(H,21,24)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35639
PNG
(5-chloroindolecarboxamide, 15a)
Show SMILES OCC(O)c1csc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1
Show InChI InChI=1S/C14H12ClN3O3S/c15-8-1-2-9-7(3-8)4-10(16-9)13(21)18-14-17-11(6-22-14)12(20)5-19/h1-4,6,12,16,19-20H,5H2,(H,17,18,21)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM35619
PNG
(5-chloroindolecarboxamide, 2c)
Show SMILES OCCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C18H17ClN2O2/c19-14-5-8-16-13(10-14)11-17(21-16)18(23)20-15-6-3-12(4-7-15)2-1-9-22/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)
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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: 5452-64 (2008)


Article DOI: 10.1016/j.bmc.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J101H2
More data for this
Ligand-Target Pair