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PubMed code 14505637

Compile data set for download or QSAR
Found 40 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))
BDBM50133440
PNG
(1-(4-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-8-10-16(26)11-9-15)22(24(31)32)21(23(29)30)20(19)17-6-4-5-7-18(17)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133438
PNG
(4-(2-Chloro-phenyl)-1-(3,4-dimethoxy-benzyl)-6-met...)
Show SMILES COc1ccc(CN2C(C)=C(C(C(C(O)=O)=C2C(O)=O)c2ccccc2Cl)C(=O)OC(C)C)cc1OC |c:9,15|
Show InChI InChI=1S/C27H28ClNO8/c1-14(2)37-27(34)21-15(3)29(13-16-10-11-19(35-4)20(12-16)36-5)24(26(32)33)23(25(30)31)22(21)17-8-6-7-9-18(17)28/h6-12,14,22H,13H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133442
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(3-nitro-benzyl)-1,...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(c2)[N+]([O-])=O)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,24|
Show InChI InChI=1S/C25H23ClN2O8/c1-13(2)36-25(33)19-14(3)27(12-15-7-6-8-16(11-15)28(34)35)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)26/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133440
PNG
(1-(4-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-8-10-16(26)11-9-15)22(24(31)32)21(23(29)30)20(19)17-6-4-5-7-18(17)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133443
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-isobutylcarbamoyl-6-...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NCC(C)C |c:4,10|
Show InChI InChI=1S/C21H25ClN2O5/c1-5-24-12(4)15(19(25)23-10-11(2)3)16(13-8-6-7-9-14(13)22)17(20(26)27)18(24)21(28)29/h6-9,11,16H,5,10H2,1-4H3,(H,23,25)(H,26,27)(H,28,29)
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n/an/a 7.88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133431
PNG
(1-(3-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-7-6-8-16(26)11-15)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133443
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-isobutylcarbamoyl-6-...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NCC(C)C |c:4,10|
Show InChI InChI=1S/C21H25ClN2O5/c1-5-24-12(4)15(19(25)23-10-11(2)3)16(13-8-6-7-9-14(13)22)17(20(26)27)18(24)21(28)29/h6-9,11,16H,5,10H2,1-4H3,(H,23,25)(H,26,27)(H,28,29)
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n/an/a 8.28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133444
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-isopropylcarbamoyl-6...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NC(C)C |c:4,10|
Show InChI InChI=1S/C20H23ClN2O5/c1-5-23-11(4)14(18(24)22-10(2)3)15(12-8-6-7-9-13(12)21)16(19(25)26)17(23)20(27)28/h6-10,15H,5H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)
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n/an/a 9.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133442
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(3-nitro-benzyl)-1,...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(c2)[N+]([O-])=O)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,24|
Show InChI InChI=1S/C25H23ClN2O8/c1-13(2)36-25(33)19-14(3)27(12-15-7-6-8-16(11-15)28(34)35)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)26/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133429
PNG
(5-Benzylcarbamoyl-4-(2-chloro-phenyl)-1-ethyl-6-me...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NCc1ccccc1 |c:4,10|
Show InChI InChI=1S/C24H23ClN2O5/c1-3-27-14(2)18(22(28)26-13-15-9-5-4-6-10-15)19(16-11-7-8-12-17(16)25)20(23(29)30)21(27)24(31)32/h4-12,19H,3,13H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)
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n/an/a 10.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133429
PNG
(5-Benzylcarbamoyl-4-(2-chloro-phenyl)-1-ethyl-6-me...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NCc1ccccc1 |c:4,10|
Show InChI InChI=1S/C24H23ClN2O5/c1-3-27-14(2)18(22(28)26-13-15-9-5-4-6-10-15)19(16-11-7-8-12-17(16)25)20(23(29)30)21(27)24(31)32/h4-12,19H,3,13H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)
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n/an/a 10.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133438
PNG
(4-(2-Chloro-phenyl)-1-(3,4-dimethoxy-benzyl)-6-met...)
Show SMILES COc1ccc(CN2C(C)=C(C(C(C(O)=O)=C2C(O)=O)c2ccccc2Cl)C(=O)OC(C)C)cc1OC |c:9,15|
Show InChI InChI=1S/C27H28ClNO8/c1-14(2)37-27(34)21-15(3)29(13-16-10-11-19(35-4)20(12-16)36-5)24(26(32)33)23(25(30)31)22(21)17-8-6-7-9-18(17)28/h6-12,14,22H,13H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133430
PNG
(1-Benzyl-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccccc2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,21|
Show InChI InChI=1S/C25H24ClNO6/c1-14(2)33-25(32)19-15(3)27(13-16-9-5-4-6-10-16)22(24(30)31)21(23(28)29)20(19)17-11-7-8-12-18(17)26/h4-12,14,20H,13H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133433
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-ethylcarbamoyl-6-met...)
Show SMILES CCNC(=O)C1=C(C)N(CC)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:5,14|
Show InChI InChI=1S/C19H21ClN2O5/c1-4-21-17(23)13-10(3)22(5-2)16(19(26)27)15(18(24)25)14(13)11-8-6-7-9-12(11)20/h6-9,14H,4-5H2,1-3H3,(H,21,23)(H,24,25)(H,26,27)
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n/an/a 12.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133444
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-isopropylcarbamoyl-6...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)NC(C)C |c:4,10|
Show InChI InChI=1S/C20H23ClN2O5/c1-5-23-11(4)14(18(24)22-10(2)3)15(12-8-6-7-9-13(12)21)16(19(25)26)17(23)20(27)28/h6-10,15H,5H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)
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n/an/a 12.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133432
PNG
(4-(2-Chloro-phenyl)-1-(3,4-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)c(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-9-17(27)18(28)10-14)22(24(32)33)21(23(30)31)20(19)15-6-4-5-7-16(15)26/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133441
PNG
(4-(2-Chloro-phenyl)-1-(3,5-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cc(Cl)cc(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-15(26)10-16(27)9-14)22(24(32)33)21(23(30)31)20(19)17-6-4-5-7-18(17)28/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133433
PNG
(4-(2-Chloro-phenyl)-1-ethyl-5-ethylcarbamoyl-6-met...)
Show SMILES CCNC(=O)C1=C(C)N(CC)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:5,14|
Show InChI InChI=1S/C19H21ClN2O5/c1-4-21-17(23)13-10(3)22(5-2)16(19(26)27)15(18(24)25)14(13)11-8-6-7-9-12(11)20/h6-9,14H,4-5H2,1-3H3,(H,21,23)(H,24,25)(H,26,27)
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n/an/a 19.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133430
PNG
(1-Benzyl-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccccc2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,21|
Show InChI InChI=1S/C25H24ClNO6/c1-14(2)33-25(32)19-15(3)27(13-16-9-5-4-6-10-16)22(24(30)31)21(23(28)29)20(19)17-11-7-8-12-18(17)26/h4-12,14,20H,13H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133431
PNG
(1-(3-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-7-6-8-16(26)11-15)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133441
PNG
(4-(2-Chloro-phenyl)-1-(3,5-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cc(Cl)cc(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-15(26)10-16(27)9-14)22(24(32)33)21(23(30)31)20(19)17-6-4-5-7-18(17)28/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133435
PNG
(4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-p...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C |c:4,10|
Show InChI InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133432
PNG
(4-(2-Chloro-phenyl)-1-(3,4-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)c(Cl)c2)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-9-17(27)18(28)10-14)22(24(32)33)21(23(30)31)20(19)15-6-4-5-7-16(15)26/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133447
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-et...)
Show SMILES CC(C)OC(=O)C1=C(C)N(CC(F)(F)F)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,18|
Show InChI InChI=1S/C20H19ClF3NO6/c1-9(2)31-19(30)13-10(3)25(8-20(22,23)24)16(18(28)29)15(17(26)27)14(13)11-6-4-5-7-12(11)21/h4-7,9,14H,8H2,1-3H3,(H,26,27)(H,28,29)
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133447
PNG
(4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-et...)
Show SMILES CC(C)OC(=O)C1=C(C)N(CC(F)(F)F)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,18|
Show InChI InChI=1S/C20H19ClF3NO6/c1-9(2)31-19(30)13-10(3)25(8-20(22,23)24)16(18(28)29)15(17(26)27)14(13)11-6-4-5-7-12(11)21/h4-7,9,14H,8H2,1-3H3,(H,26,27)(H,28,29)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133434
PNG
(4-(2-Chloro-phenyl)-1-(2,5-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cc(Cl)ccc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-10-15(26)8-9-17(14)27)22(24(32)33)21(23(30)31)20(19)16-6-4-5-7-18(16)28/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133439
PNG
(1-(2-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccccc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-8-4-6-10-17(15)26)22(24(31)32)21(23(29)30)20(19)16-9-5-7-11-18(16)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133434
PNG
(4-(2-Chloro-phenyl)-1-(2,5-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cc(Cl)ccc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-10-15(26)8-9-17(14)27)22(24(32)33)21(23(30)31)20(19)16-6-4-5-7-18(16)28/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 91n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133437
PNG
(4-(2-Chloro-phenyl)-1-(2,4-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-9-15(26)10-18(14)28)22(24(32)33)21(23(30)31)20(19)16-6-4-5-7-17(16)27/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 104n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133446
PNG
(4-(2-Chloro-phenyl)-1-(2,3-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(Cl)c2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)18-13(3)29(11-14-7-6-10-17(27)21(14)28)22(24(32)33)20(23(30)31)19(18)15-8-4-5-9-16(15)26/h4-10,12,19H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133435
PNG
(4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-p...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C |c:4,10|
Show InChI InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)
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n/an/a 138n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133445
PNG
(4-(2-Chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-...)
Show SMILES CC(C)OC(=O)C1C(C(C(O)=O)=C(N=C1C)C(O)=O)c1ccccc1Cl |c:11,13|
Show InChI InChI=1S/C18H18ClNO6/c1-8(2)26-18(25)12-9(3)20-15(17(23)24)14(16(21)22)13(12)10-6-4-5-7-11(10)19/h4-8,12-13H,1-3H3,(H,21,22)(H,23,24)
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n/an/a 172n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133439
PNG
(1-(2-Chloro-benzyl)-4-(2-chloro-phenyl)-6-methyl-1...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccccc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,22|
Show InChI InChI=1S/C25H23Cl2NO6/c1-13(2)34-25(33)19-14(3)28(12-15-8-4-6-10-17(15)26)22(24(31)32)21(23(29)30)20(19)16-9-5-7-11-18(16)27/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 178n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133437
PNG
(4-(2-Chloro-phenyl)-1-(2,4-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)19-13(3)29(11-14-8-9-15(26)10-18(14)28)22(24(32)33)21(23(30)31)20(19)16-6-4-5-7-17(16)27/h4-10,12,20H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 185n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133446
PNG
(4-(2-Chloro-phenyl)-1-(2,3-dichloro-benzyl)-6-meth...)
Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(Cl)c2Cl)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,23|
Show InChI InChI=1S/C25H22Cl3NO6/c1-12(2)35-25(34)18-13(3)29(11-14-7-6-10-17(27)21(14)28)22(24(32)33)20(23(30)31)19(18)15-8-4-5-9-16(15)26/h4-10,12,19H,11H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 233n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133448
PNG
(1-Ethyl-6-methyl-4-phenyl-1,4-dihydro-pyridine-2,3...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1)C(=O)OC(C)C |c:4,10|
Show InChI InChI=1S/C20H23NO6/c1-5-21-12(4)14(20(26)27-11(2)3)15(13-9-7-6-8-10-13)16(18(22)23)17(21)19(24)25/h6-11,15H,5H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 395n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133445
PNG
(4-(2-Chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-...)
Show SMILES CC(C)OC(=O)C1C(C(C(O)=O)=C(N=C1C)C(O)=O)c1ccccc1Cl |c:11,13|
Show InChI InChI=1S/C18H18ClNO6/c1-8(2)26-18(25)12-9(3)20-15(17(23)24)14(16(21)22)13(12)10-6-4-5-7-11(10)19/h4-8,12-13H,1-3H3,(H,21,22)(H,23,24)
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n/an/a 692n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133448
PNG
(1-Ethyl-6-methyl-4-phenyl-1,4-dihydro-pyridine-2,3...)
Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1)C(=O)OC(C)C |c:4,10|
Show InChI InChI=1S/C20H23NO6/c1-5-21-12(4)14(20(26)27-11(2)3)15(13-9-7-6-8-10-13)16(18(22)23)17(21)19(24)25/h6-11,15H,5H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50133436
PNG
(4-(2-Chloro-phenyl)-1-ethyl-2-methyl-1,4-dihydro-p...)
Show SMILES CCN1C=C(C(C(C(=O)OC(C)C)=C1C)c1ccccc1Cl)C(O)=O |c:3,12|
Show InChI InChI=1S/C19H22ClNO4/c1-5-21-10-14(18(22)23)17(13-8-6-7-9-15(13)20)16(12(21)4)19(24)25-11(2)3/h6-11,17H,5H2,1-4H3,(H,22,23)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50133436
PNG
(4-(2-Chloro-phenyl)-1-ethyl-2-methyl-1,4-dihydro-p...)
Show SMILES CCN1C=C(C(C(C(=O)OC(C)C)=C1C)c1ccccc1Cl)C(O)=O |c:3,12|
Show InChI InChI=1S/C19H22ClNO4/c1-5-21-10-14(18(22)23)17(13-8-6-7-9-15(13)20)16(12(21)4)19(24)25-11(2)3/h6-11,17H,5H2,1-4H3,(H,22,23)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)


Bioorg Med Chem Lett 13: 3405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ60XP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%