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PubMed code 19758809

Compile data set for download or QSAR
Found 66 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, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34072
PNG
(benzamide derivative, 12)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(N)c2)c(N)cc1F
Show InChI InChI=1S/C17H16FN5OS/c1-23-6-5-21-17(23)25-15-8-12(14(20)9-13(15)18)16(24)22-11-4-2-3-10(19)7-11/h2-9H,19-20H2,1H3,(H,22,24)
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PubMed
n/an/a 2.68E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34074
PNG
(benzamide derivative, 13b)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
Show InChI InChI=1S/C17H15FN4OS2/c1-9-8-24-17(21-9)25-15-6-12(14(20)7-13(15)18)16(23)22-11-4-2-3-10(19)5-11/h2-8H,19-20H2,1H3,(H,22,23)
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UniChem

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Article
PubMed
n/an/a 3.50E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34073
PNG
(benzamide derivative, 13a)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3nccs3)c(F)cc2N)c1
Show InChI InChI=1S/C16H13FN4OS2/c17-12-8-13(19)11(7-14(12)24-16-20-4-5-23-16)15(22)21-10-3-1-2-9(18)6-10/h1-8H,18-19H2,(H,21,22)
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PubMed
n/an/a 5.40E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34092
PNG
(benzamide derivative, 13t)
Show SMILES Nc1cc(F)c(Sc2ccccn2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H13F2N3OS/c19-11-4-3-5-12(8-11)23-18(24)13-9-16(14(20)10-15(13)21)25-17-6-1-2-7-22-17/h1-10H,21H2,(H,23,24)
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PubMed
n/an/a 7.20E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34080
PNG
(benzamide derivative, 13h)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)cc1F
Show InChI InChI=1S/C18H14F4N4OS/c1-26-6-5-24-17(26)28-15-8-12(14(23)9-13(15)19)16(27)25-11-4-2-3-10(7-11)18(20,21)22/h2-9H,23H2,1H3,(H,25,27)
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PubMed
n/an/a 8.95E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34096
PNG
(benzamide derivative, 13x)
Show SMILES COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1OC
Show InChI InChI=1S/C19H19FN4O3S/c1-24-7-6-22-19(24)28-17-9-12(14(21)10-13(17)20)18(25)23-11-4-5-15(26-2)16(8-11)27-3/h4-10H,21H2,1-3H3,(H,23,25)
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PubMed
n/an/a 9.30E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34077
PNG
(benzamide derivative, 13e)
Show SMILES Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
Show InChI InChI=1S/C19H18FN5OS/c1-10-6-11(2)24-19(23-10)27-17-8-14(16(22)9-15(17)20)18(26)25-13-5-3-4-12(21)7-13/h3-9H,21-22H2,1-2H3,(H,25,26)
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PubMed
n/an/a 9.80E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34084
PNG
(benzamide derivative, 13l)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C#N)c(N)cc1F
Show InChI InChI=1S/C18H14FN5OS/c1-24-6-5-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-3-11(7-12)10-20/h2-9H,21H2,1H3,(H,23,25)
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PubMed
n/an/a 9.87E+3n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34076
PNG
(benzamide derivative, 13d)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3ccccn3)c(F)cc2N)c1
Show InChI InChI=1S/C18H15FN4OS/c19-14-10-15(21)13(9-16(14)25-17-6-1-2-7-22-17)18(24)23-12-5-3-4-11(20)8-12/h1-10H,20-21H2,(H,23,24)
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PubMed
n/an/a 1.06E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34100
PNG
(benzamide derivative, 14d)
Show SMILES Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C#N)CC1
Show InChI InChI=1S/C19H19FN4O/c20-17-6-1-2-7-18(17)24-10-8-23(9-11-24)14-19(25)22-16-5-3-4-15(12-16)13-21/h1-7,12H,8-11,14H2,(H,22,25)
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PubMed
n/an/a 1.25E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34075
PNG
(benzamide derivative, 13c)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3nncs3)c(F)cc2N)c1
Show InChI InChI=1S/C15H12FN5OS2/c16-11-6-12(18)10(5-13(11)24-15-21-19-7-23-15)14(22)20-9-3-1-2-8(17)4-9/h1-7H,17-18H2,(H,20,22)
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PubMed
n/an/a 1.77E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34099
PNG
(benzamide derivative, 14c)
Show SMILES Fc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C18H19F2N3O/c19-14-4-3-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
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PubMed
n/an/a 1.87E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34086
PNG
(benzamide derivative, 13n)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
Show InChI InChI=1S/C18H13FN4OS2/c1-10-9-25-18(22-10)26-16-6-13(15(21)7-14(16)19)17(24)23-12-4-2-3-11(5-12)8-20/h2-7,9H,21H2,1H3,(H,23,24)
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PubMed
n/an/a 1.89E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34083
PNG
(benzamide derivative, 13k)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H10F4N4OS2/c17-11-6-12(21)10(5-13(11)27-15-24-22-7-26-15)14(25)23-9-3-1-2-8(4-9)16(18,19)20/h1-7H,21H2,(H,23,25)
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PubMed
n/an/a 1.89E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34088
PNG
(benzamide derivative, 13p)
Show SMILES Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
Show InChI InChI=1S/C20H16FN5OS/c1-11-6-12(2)25-20(24-11)28-18-8-15(17(23)9-16(18)21)19(27)26-14-5-3-4-13(7-14)10-22/h3-9H,23H2,1-2H3,(H,26,27)
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PubMed
n/an/a 1.93E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34095
PNG
(benzamide derivative, 13w)
Show SMILES COc1cccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)c1
Show InChI InChI=1S/C18H17FN4O2S/c1-23-7-6-21-18(23)26-16-9-13(15(20)10-14(16)19)17(24)22-11-4-3-5-12(8-11)25-2/h3-10H,20H2,1-2H3,(H,22,24)
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PubMed
n/an/a 2.02E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34081
PNG
(benzamide derivative, 13i)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F4N3OS2/c18-12-8-13(22)11(7-14(12)27-16-23-4-5-26-16)15(25)24-10-3-1-2-9(6-10)17(19,20)21/h1-8H,22H2,(H,24,25)
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n/an/a 2.11E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34093
PNG
(benzamide derivative, 13u)
Show SMILES Nc1cc(F)c(Sc2nc3ccccc3o2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H13F2N3O2S/c21-11-4-3-5-12(8-11)24-19(26)13-9-18(14(22)10-15(13)23)28-20-25-16-6-1-2-7-17(16)27-20/h1-10H,23H2,(H,24,26)
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PubMed
n/an/a 2.16E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34094
PNG
(benzamide derivative, 13v)
Show SMILES COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1
Show InChI InChI=1S/C18H17FN4O2S/c1-23-8-7-21-18(23)26-16-9-13(15(20)10-14(16)19)17(24)22-11-3-5-12(25-2)6-4-11/h3-10H,20H2,1-2H3,(H,22,24)
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PubMed
n/an/a 2.39E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34079
PNG
(benzamide derivative, 13g)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(CN)c2)c(N)cc1F
Show InChI InChI=1S/C18H18FN5OS/c1-24-6-5-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-3-11(7-12)10-20/h2-9H,10,20-21H2,1H3,(H,23,25)
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PubMed
n/an/a 2.53E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34097
PNG
(benzamide derivative, 14a)
Show SMILES Nc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-1-2-7-17(16)23-10-8-22(9-11-23)13-18(24)21-15-5-3-4-14(20)12-15/h1-7,12H,8-11,13,20H2,(H,21,24)
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n/an/a 2.58E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34090
PNG
(benzamide derivative, 13r)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C16H11F2N3OS2/c17-9-2-1-3-10(6-9)21-15(22)11-7-14(12(18)8-13(11)19)24-16-20-4-5-23-16/h1-8H,19H2,(H,21,22)
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n/an/a 2.59E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34078
PNG
(benzamide derivative, 13f)
Show SMILES Cn1ccnc1Sc1cc(NC(=O)c2cccc(N)c2)c(N)cc1F
Show InChI InChI=1S/C17H16FN5OS/c1-23-6-5-21-17(23)25-15-9-14(13(20)8-12(15)18)22-16(24)10-3-2-4-11(19)7-10/h2-9H,19-20H2,1H3,(H,22,24)
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n/an/a 2.89E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34089
PNG
(benzamide derivative, 13q)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(F)c2)c(N)cc1F
Show InChI InChI=1S/C17H14F2N4OS/c1-23-6-5-21-17(23)25-15-8-12(14(20)9-13(15)19)16(24)22-11-4-2-3-10(18)7-11/h2-9H,20H2,1H3,(H,22,24)
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n/an/a 3.09E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34082
PNG
(benzamide derivative, 13j)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(N)cc2F)n1
Show InChI InChI=1S/C18H13F4N3OS2/c1-9-8-27-17(24-9)28-15-6-12(14(23)7-13(15)19)16(26)25-11-4-2-3-10(5-11)18(20,21)22/h2-8H,23H2,1H3,(H,25,26)
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n/an/a 3.25E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34091
PNG
(benzamide derivative, 13s)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C15H10F2N4OS2/c16-8-2-1-3-9(4-8)20-14(22)10-5-13(11(17)6-12(10)18)24-15-21-19-7-23-15/h1-7H,18H2,(H,20,22)
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n/an/a 3.36E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34085
PNG
(benzamide derivative, 13m)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C17H11FN4OS2/c18-13-8-14(20)12(7-15(13)25-17-21-4-5-24-17)16(23)22-11-3-1-2-10(6-11)9-19/h1-8H,20H2,(H,22,23)
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n/an/a 3.45E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34101
PNG
(benzamide derivative, 14e)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2F)cc1OC
Show InChI InChI=1S/C20H23F2N3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)13-24-7-9-25(10-8-24)17-5-3-14(21)11-16(17)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
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n/an/a 3.59E+4n/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34071
PNG
(benzamide derivative, 6)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F
Show InChI InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
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n/an/a 4.39E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34087
PNG
(benzamide derivative, 13o)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C16H10FN5OS2/c17-12-6-13(19)11(5-14(12)25-16-22-20-8-24-16)15(23)21-10-3-1-2-9(4-10)7-18/h1-6,8H,19H2,(H,21,23)
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n/an/a 4.43E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34102
PNG
(benzamide derivative 15b)
Show SMILES COc1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-10-4-8-17(13-19)23-21(25)15-6-3-7-16(12-15)22(26)24-18-9-5-11-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 7.74E+4n/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM34098
PNG
(benzamide derivative, 14b)
Show SMILES Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
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n/an/a 7.85E+4n/an/an/an/a7.222



Shanghai Institutes for Biological Sciences



Assay Description
The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direct...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34075
PNG
(benzamide derivative, 13c)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3nncs3)c(F)cc2N)c1
Show InChI InChI=1S/C15H12FN5OS2/c16-11-6-12(18)10(5-13(11)24-15-21-19-7-23-15)14(22)20-9-3-1-2-8(17)4-9/h1-7H,17-18H2,(H,20,22)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34076
PNG
(benzamide derivative, 13d)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3ccccn3)c(F)cc2N)c1
Show InChI InChI=1S/C18H15FN4OS/c19-14-10-15(21)13(9-16(14)25-17-6-1-2-7-22-17)18(24)23-12-5-3-4-11(20)8-12/h1-10H,20-21H2,(H,23,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34081
PNG
(benzamide derivative, 13i)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H11F4N3OS2/c18-12-8-13(22)11(7-14(12)27-16-23-4-5-26-16)15(25)24-10-3-1-2-9(6-10)17(19,20)21/h1-8H,22H2,(H,24,25)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34096
PNG
(benzamide derivative, 13x)
Show SMILES COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1OC
Show InChI InChI=1S/C19H19FN4O3S/c1-24-7-6-22-19(24)28-17-9-12(14(21)10-13(17)20)18(25)23-11-4-5-15(26-2)16(8-11)27-3/h4-10H,21H2,1-3H3,(H,23,25)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34101
PNG
(benzamide derivative, 14e)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2F)cc1OC
Show InChI InChI=1S/C20H23F2N3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)13-24-7-9-25(10-8-24)17-5-3-14(21)11-16(17)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34084
PNG
(benzamide derivative, 13l)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C#N)c(N)cc1F
Show InChI InChI=1S/C18H14FN5OS/c1-24-6-5-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-3-11(7-12)10-20/h2-9H,21H2,1H3,(H,23,25)
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n/an/an/an/a 2.53E+3n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34090
PNG
(benzamide derivative, 13r)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C16H11F2N3OS2/c17-9-2-1-3-10(6-9)21-15(22)11-7-14(12(18)8-13(11)19)24-16-20-4-5-23-16/h1-8H,19H2,(H,21,22)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34100
PNG
(benzamide derivative, 14d)
Show SMILES Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C#N)CC1
Show InChI InChI=1S/C19H19FN4O/c20-17-6-1-2-7-18(17)24-10-8-23(9-11-24)14-19(25)22-16-5-3-4-15(12-16)13-21/h1-7,12H,8-11,14H2,(H,22,25)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34073
PNG
(benzamide derivative, 13a)
Show SMILES Nc1cccc(NC(=O)c2cc(Sc3nccs3)c(F)cc2N)c1
Show InChI InChI=1S/C16H13FN4OS2/c17-12-8-13(19)11(7-14(12)24-16-20-4-5-23-16)15(22)21-10-3-1-2-9(18)6-10/h1-8H,18-19H2,(H,21,22)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34077
PNG
(benzamide derivative, 13e)
Show SMILES Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
Show InChI InChI=1S/C19H18FN5OS/c1-10-6-11(2)24-19(23-10)27-17-8-14(16(22)9-15(17)20)18(26)25-13-5-3-4-12(21)7-13/h3-9H,21-22H2,1-2H3,(H,25,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34085
PNG
(benzamide derivative, 13m)
Show SMILES Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C17H11FN4OS2/c18-13-8-14(20)12(7-15(13)25-17-21-4-5-24-17)16(23)22-11-3-1-2-10(6-11)9-19/h1-8H,20H2,(H,22,23)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34088
PNG
(benzamide derivative, 13p)
Show SMILES Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
Show InChI InChI=1S/C20H16FN5OS/c1-11-6-12(2)25-20(24-11)28-18-8-15(17(23)9-16(18)21)19(27)26-14-5-3-4-13(7-14)10-22/h3-9H,23H2,1-2H3,(H,26,27)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34104
PNG
(benzamide derivative 15a)
Show SMILES COc1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)23-21(25)15-8-7-9-16(14-15)22(26)24-18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34071
PNG
(benzamide derivative, 6)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F
Show InChI InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
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n/an/an/an/a 67.1n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM34080
PNG
(benzamide derivative, 13h)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)cc1F
Show InChI InChI=1S/C18H14F4N4OS/c1-26-6-5-24-17(26)28-15-8-12(14(23)9-13(15)19)16(27)25-11-4-2-3-10(7-11)18(20,21)22/h2-9H,23H2,1H3,(H,25,27)
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n/an/an/an/a 1.87E+3n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34083
PNG
(benzamide derivative, 13k)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H10F4N4OS2/c17-11-6-12(21)10(5-13(11)27-15-24-22-7-26-15)14(25)23-9-3-1-2-8(4-9)16(18,19)20/h1-7H,21H2,(H,23,25)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34089
PNG
(benzamide derivative, 13q)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(F)c2)c(N)cc1F
Show InChI InChI=1S/C17H14F2N4OS/c1-23-6-5-21-17(23)25-15-8-12(14(20)9-13(15)19)16(24)22-11-4-2-3-10(18)7-11/h2-9H,20H2,1H3,(H,22,24)
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n/an/an/an/a 2.13E+3n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34092
PNG
(benzamide derivative, 13t)
Show SMILES Nc1cc(F)c(Sc2ccccn2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H13F2N3OS/c19-11-4-3-5-12(8-11)23-18(24)13-9-16(14(20)10-15(13)21)25-17-6-1-2-7-22-17/h1-10H,21H2,(H,23,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34093
PNG
(benzamide derivative, 13u)
Show SMILES Nc1cc(F)c(Sc2nc3ccccc3o2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H13F2N3O2S/c21-11-4-3-5-12(8-11)24-19(26)13-9-18(14(22)10-15(13)23)28-20-25-16-6-1-2-7-17(16)27-20/h1-10H,23H2,(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34099
PNG
(benzamide derivative, 14c)
Show SMILES Fc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C18H19F2N3O/c19-14-4-3-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34105
PNG
(benzamide derivative 15c)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-10-6-17(7-11-19)23-21(25)15-4-3-5-16(14-15)22(26)24-18-8-12-20(28-2)13-9-18/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34086
PNG
(benzamide derivative, 13n)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
Show InChI InChI=1S/C18H13FN4OS2/c1-10-9-25-18(22-10)26-16-6-13(15(21)7-14(16)19)17(24)23-12-4-2-3-11(5-12)8-20/h2-7,9H,21H2,1H3,(H,23,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34087
PNG
(benzamide derivative, 13o)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C16H10FN5OS2/c17-12-6-13(19)11(5-14(12)25-16-22-20-8-24-16)15(23)21-10-3-1-2-9(4-10)7-18/h1-6,8H,19H2,(H,21,23)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34091
PNG
(benzamide derivative, 13s)
Show SMILES Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C15H10F2N4OS2/c16-8-2-1-3-9(4-8)20-14(22)10-5-13(11(17)6-12(10)18)24-15-21-19-7-23-15/h1-7H,18H2,(H,20,22)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34094
PNG
(benzamide derivative, 13v)
Show SMILES COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1
Show InChI InChI=1S/C18H17FN4O2S/c1-23-8-7-21-18(23)26-16-9-13(15(20)10-14(16)19)17(24)22-11-3-5-12(25-2)6-4-11/h3-10H,20H2,1-2H3,(H,22,24)
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n/an/an/an/a 1.36E+3n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34102
PNG
(benzamide derivative 15b)
Show SMILES COc1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-10-4-8-17(13-19)23-21(25)15-6-3-7-16(12-15)22(26)24-18-9-5-11-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34072
PNG
(benzamide derivative, 12)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(N)c2)c(N)cc1F
Show InChI InChI=1S/C17H16FN5OS/c1-23-6-5-21-17(23)25-15-8-12(14(20)9-13(15)18)16(24)22-11-4-2-3-10(19)7-11/h2-9H,19-20H2,1H3,(H,22,24)
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n/an/an/an/a 1.26E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34082
PNG
(benzamide derivative, 13j)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(N)cc2F)n1
Show InChI InChI=1S/C18H13F4N3OS2/c1-9-8-27-17(24-9)28-15-6-12(14(23)7-13(15)19)16(26)25-11-4-2-3-10(5-11)18(20,21)22/h2-8H,23H2,1H3,(H,25,26)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34095
PNG
(benzamide derivative, 13w)
Show SMILES COc1cccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)c1
Show InChI InChI=1S/C18H17FN4O2S/c1-23-7-6-21-18(23)26-16-9-13(15(20)10-14(16)19)17(24)22-11-4-3-5-12(8-11)25-2/h3-10H,20H2,1-2H3,(H,22,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34079
PNG
(benzamide derivative, 13g)
Show SMILES Cn1ccnc1Sc1cc(C(=O)Nc2cccc(CN)c2)c(N)cc1F
Show InChI InChI=1S/C18H18FN5OS/c1-24-6-5-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-3-11(7-12)10-20/h2-9H,10,20-21H2,1H3,(H,23,25)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34098
PNG
(benzamide derivative, 14b)
Show SMILES Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34074
PNG
(benzamide derivative, 13b)
Show SMILES Cc1csc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
Show InChI InChI=1S/C17H15FN4OS2/c1-9-8-24-17(21-9)25-15-6-12(14(20)7-13(15)18)16(23)22-11-4-2-3-10(19)5-11/h2-8H,19-20H2,1H3,(H,22,23)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34078
PNG
(benzamide derivative, 13f)
Show SMILES Cn1ccnc1Sc1cc(NC(=O)c2cccc(N)c2)c(N)cc1F
Show InChI InChI=1S/C17H16FN5OS/c1-23-6-5-21-17(23)25-15-9-14(13(20)8-12(15)18)22-16(24)10-3-2-4-11(19)7-10/h2-9H,19-20H2,1H3,(H,22,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM34097
PNG
(benzamide derivative, 14a)
Show SMILES Nc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-1-2-7-17(16)23-10-8-22(9-11-23)13-18(24)21-15-5-3-4-14(20)12-15/h1-7,12H,8-11,13,20H2,(H,21,24)
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n/an/an/an/an/an/an/an/an/a



Shanghai Institutes for Biological Sciences



Assay Description
The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose ph...

Bioorg Med Chem 17: 7301-12 (2009)


Article DOI: 10.1016/j.bmc.2009.08.045
BindingDB Entry DOI: 10.7270/Q2DF6PK0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%