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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'clancy' and Initial = 'dc'   
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))
BDBM27747
PNG
((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)-c1cccc(F)c1)C(O)=O |r|
Show InChI InChI=1S/C34H40FN3O5/c1-19-14-23(16-22-10-11-22)15-20(2)29(19)38-33(42)36-28-18-25(24-8-7-9-26(35)17-24)12-13-27(28)31(39)37-30(32(40)41)21(3)43-34(4,5)6/h7-9,12-15,17-18,21-22,30H,10-11,16H2,1-6H3,(H,37,39)(H,40,41)(H2,36,38,42)/t21-,30+/m1/s1
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n/an/a 3n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27730
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(4-methoxyphenyl)-2-...)
Show SMILES COc1ccc(cc1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-26-17-23(22-9-12-24(40-8)13-10-22)11-14-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 3n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27745
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(OC)cc2)c(C)c1 |r|
Show InChI InChI=1S/C34H43N3O6/c1-9-10-23-17-20(2)29(21(3)18-23)37-33(41)35-28-19-25(24-11-14-26(42-8)15-12-24)13-16-27(28)31(38)36-30(32(39)40)22(4)43-34(5,6)7/h11-19,22,30H,9-10H2,1-8H3,(H,36,38)(H,39,40)(H2,35,37,41)/t22-,30+/m1/s1
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n/an/a 4n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27746
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2cccc(F)c2)c(C)c1 |r|
Show InChI InChI=1S/C33H40FN3O5/c1-8-10-22-15-19(2)28(20(3)16-22)37-32(41)35-27-18-24(23-11-9-12-25(34)17-23)13-14-26(27)30(38)36-29(31(39)40)21(4)42-33(5,6)7/h9,11-18,21,29H,8,10H2,1-7H3,(H,36,38)(H,39,40)(H2,35,37,41)/t21-,29+/m1/s1
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n/an/a 4n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27743
PNG
((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H36FN3O5/c1-15-11-19(13-18-7-8-18)12-16(2)23(15)32-27(36)30-22-14-20(29)9-10-21(22)25(33)31-24(26(34)35)17(3)37-28(4,5)6/h9-12,14,17-18,24H,7-8,13H2,1-6H3,(H,31,33)(H,34,35)(H2,30,32,36)/t17-,24+/m1/s1
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n/an/a 4n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50255975
PNG
((S)-2-cyclohexyl-2-(3-(3-(2,6-dichloro-4-(trifluor...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C1CCCCC1 |r|
Show InChI InChI=1S/C27H24Cl2F3N3O5/c28-19-12-17(40-27(30,31)32)13-20(29)23(19)35-26(39)33-21-11-16-9-5-4-8-15(16)10-18(21)24(36)34-22(25(37)38)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,34,36)(H,37,38)(H2,33,35,39)/t22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256329
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclooctaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50255977
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H33N3O4/c1-17-13-18(2)25(19(3)14-17)32-29(36)30-24-16-22-12-8-7-11-21(22)15-23(24)27(33)31-26(28(34)35)20-9-5-4-6-10-20/h7-8,11-16,20,26H,4-6,9-10H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256669
PNG
((2S,3R)-2-(3-(3-mesitylureido)-2-naphthamido)-3-(1...)
Show SMILES C[C@@H](OC1(C)CCCC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C31H37N3O5/c1-18-14-19(2)26(20(3)15-18)34-30(38)32-25-17-23-11-7-6-10-22(23)16-24(25)28(35)33-27(29(36)37)21(4)39-31(5)12-8-9-13-31/h6-7,10-11,14-17,21,27H,8-9,12-13H2,1-5H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27734
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(4-fluorophenyl)-2-{...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C31H36FN3O5/c1-17-14-18(2)26(19(3)15-17)35-30(39)33-25-16-22(21-8-11-23(32)12-9-21)10-13-24(25)28(36)34-27(29(37)38)20(4)40-31(5,6)7/h8-16,20,27H,1-7H3,(H,34,36)(H,37,38)(H2,33,35,39)/t20-,27+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27726
PNG
((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27726
PNG
((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27744
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(F)c(F)c2)c(C)c1 |r|
Show InChI InChI=1S/C33H39F2N3O5/c1-8-9-21-14-18(2)28(19(3)15-21)38-32(42)36-27-17-23(22-11-13-25(34)26(35)16-22)10-12-24(27)30(39)37-29(31(40)41)20(4)43-33(5,6)7/h10-17,20,29H,8-9H2,1-7H3,(H,37,39)(H,40,41)(H2,36,38,42)/t20-,29+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27731
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3-methoxyphenyl)-2-...)
Show SMILES COc1cccc(c1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-14-19(2)27(20(3)15-18)35-31(39)33-26-17-23(22-10-9-11-24(16-22)40-8)12-13-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 8n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27742
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H36FN3O5/c1-8-9-18-12-15(2)22(16(3)13-18)31-26(35)29-21-14-19(28)10-11-20(21)24(32)30-23(25(33)34)17(4)36-27(5,6)7/h10-14,17,23H,8-9H2,1-7H3,(H,30,32)(H,33,34)(H2,29,31,35)/t17-,23+/m1/s1
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n/an/a 10n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256169
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27729
PNG
((2S,3R)-3-(tert-butoxy)-2-[(4-phenyl-2-{[(2,4,6-tr...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H37N3O5/c1-18-15-19(2)26(20(3)16-18)34-30(38)32-25-17-23(22-11-9-8-10-12-22)13-14-24(25)28(35)33-27(29(36)37)21(4)39-31(5,6)7/h8-17,21,27H,1-7H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
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n/an/a 10n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27735
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)c(F)c1)C(O)=O |r|
Show InChI InChI=1S/C31H35F2N3O5/c1-16-12-17(2)26(18(3)13-16)36-30(40)34-25-15-21(20-9-11-23(32)24(33)14-20)8-10-22(25)28(37)35-27(29(38)39)19(4)41-31(5,6)7/h8-15,19,27H,1-7H3,(H,35,37)(H,38,39)(H2,34,36,40)/t19-,27+/m1/s1
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n/an/a 13n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256071
PNG
(2-(4,4-difluorocyclohexyl)-2-(3-(3-mesitylureido)-...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(F)(F)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31F2N3O4/c1-16-12-17(2)24(18(3)13-16)34-28(38)32-23-15-21-7-5-4-6-20(21)14-22(23)26(35)33-25(27(36)37)19-8-10-29(30,31)11-9-19/h4-7,12-15,19,25H,8-11H2,1-3H3,(H,33,35)(H,36,37)(H2,32,34,38)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27740
PNG
((2S)-2-cyclohexyl-2-{[2-({[4-(cyclopropylmethyl)-2...)
Show SMILES Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H34FN3O4/c1-16-12-19(14-18-8-9-18)13-17(2)24(16)32-28(36)30-23-15-21(29)10-11-22(23)26(33)31-25(27(34)35)20-6-4-3-5-7-20/h10-13,15,18,20,25H,3-9,14H2,1-2H3,(H,31,33)(H,34,35)(H2,30,32,36)/t25-/m0/s1
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n/an/a 13n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256012
PNG
((S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C28H31N3O4/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-11-7-6-10-20(21)14-22(23)26(32)30-25(27(33)34)19-8-4-5-9-19/h6-7,10-15,19,25H,4-5,8-9H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256330
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclodecaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H39N3O4/c1-21-17-22(2)28(23(3)18-21)34-31(39)33-27-20-25-14-10-9-13-24(25)19-26(27)29(36)35-32(30(37)38)15-11-7-5-4-6-8-12-16-32/h9-10,13-14,17-20H,4-8,11-12,15-16H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27733
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3-fluorophenyl)-2-{...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1cccc(F)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36FN3O5/c1-17-13-18(2)26(19(3)14-17)35-30(39)33-25-16-22(21-9-8-10-23(32)15-21)11-12-24(25)28(36)34-27(29(37)38)20(4)40-31(5,6)7/h8-16,20,27H,1-7H3,(H,34,36)(H,37,38)(H2,33,35,39)/t20-,27+/m1/s1
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n/an/a 15n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256710
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H33N3O5/c1-19-14-20(2)28(21(3)15-19)35-32(39)33-27-17-25-13-9-8-12-24(25)16-26(27)30(36)34-29(31(37)38)22(4)40-18-23-10-6-5-7-11-23/h5-17,22,29H,18H2,1-4H3,(H,34,36)(H,37,38)(H2,33,35,39)/t22-,29+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256667
PNG
((2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naph...)
Show SMILES CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256668
PNG
((2S,3R)-3-cyclobutoxy-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES C[C@@H](OC1CCC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H33N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(36)30-24-15-21-9-6-5-8-20(21)14-23(24)27(33)31-26(28(34)35)19(4)37-22-10-7-11-22/h5-6,8-9,12-15,19,22,26H,7,10-11H2,1-4H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,26+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27739
PNG
((2S)-2-cyclohexyl-2-[(2-{[(2,6-dimethyl-4-propylph...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H34FN3O4/c1-4-8-18-13-16(2)23(17(3)14-18)31-27(35)29-22-15-20(28)11-12-21(22)25(32)30-24(26(33)34)19-9-6-5-7-10-19/h11-15,19,24H,4-10H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 19n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50243599
PNG
((S)-2-cyclohexyl-2-(2-(3-(2,6-dichlorophenyl)ureid...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 |r|
Show InChI InChI=1S/C26H25Cl2N3O4/c27-19-11-6-12-20(28)23(19)31-26(35)29-21-14-17-10-5-4-9-16(17)13-18(21)24(32)30-22(25(33)34)15-7-2-1-3-8-15/h4-6,9-15,22H,1-3,7-8H2,(H,30,32)(H,33,34)(H2,29,31,35)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256521
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)hexanoic ...)
Show SMILES CCCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C27H31N3O4/c1-5-6-11-22(26(32)33)28-25(31)21-14-19-9-7-8-10-20(19)15-23(21)29-27(34)30-24-17(3)12-16(2)13-18(24)4/h7-10,12-15,22H,5-6,11H2,1-4H3,(H,28,31)(H,32,33)(H2,29,30,34)/t22-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256711
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES CC[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C33H35N3O5/c1-5-28(41-19-23-11-7-6-8-12-23)30(32(38)39)35-31(37)26-17-24-13-9-10-14-25(24)18-27(26)34-33(40)36-29-21(3)15-20(2)16-22(29)4/h6-18,28,30H,5,19H2,1-4H3,(H,35,37)(H,38,39)(H2,34,36,40)/t28-,30+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256574
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5,5-dime...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H35N3O4/c1-17-13-18(2)25(19(3)14-17)32-28(36)31-24-16-21-10-8-7-9-20(21)15-22(24)26(33)30-23(27(34)35)11-12-29(4,5)6/h7-10,13-16,23H,11-12H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256393
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-1,2,3,4-tetr...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCc3ccccc3C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H31N3O4/c1-19-14-20(2)28(21(3)15-19)34-31(39)33-27-17-24-10-6-5-9-23(24)16-26(27)29(36)35-32(30(37)38)13-12-22-8-4-7-11-25(22)18-32/h4-11,14-17H,12-13,18H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27732
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(2-methoxyphenyl)-2-...)
Show SMILES COc1ccccc1-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-25-17-22(23-11-9-10-12-26(23)40-8)13-14-24(25)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 28n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256443
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)pentanoic...)
Show SMILES CCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O4/c1-5-8-21(25(31)32)27-24(30)20-13-18-9-6-7-10-19(18)14-22(20)28-26(33)29-23-16(3)11-15(2)12-17(23)4/h6-7,9-14,21H,5,8H2,1-4H3,(H,27,30)(H,31,32)(H2,28,29,33)/t21-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256620
PNG
((S)-3-tert-butoxy-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C28H33N3O5/c1-16-11-17(2)24(18(3)12-16)31-27(35)30-22-14-20-10-8-7-9-19(20)13-21(22)25(32)29-23(26(33)34)15-36-28(4,5)6/h7-14,23H,15H2,1-6H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27741
PNG
((2S)-2-[(2-{[(4-butyl-2,6-dimethylphenyl)carbamoyl...)
Show SMILES CCCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C28H36FN3O4/c1-4-5-9-19-14-17(2)24(18(3)15-19)32-28(36)30-23-16-21(29)12-13-22(23)26(33)31-25(27(34)35)20-10-7-6-8-11-20/h12-16,20,25H,4-11H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t25-/m0/s1
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n/an/a 49n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256712
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES CC(C)C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H39N3O5/c1-21(2)15-30(43-20-25-11-7-6-8-12-25)32(34(40)41)37-33(39)28-18-26-13-9-10-14-27(26)19-29(28)36-35(42)38-31-23(4)16-22(3)17-24(31)5/h6-14,16-19,21,30,32H,15,20H2,1-5H3,(H,37,39)(H,40,41)(H2,36,38,42)/t30-,32+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256575
PNG
((S)-3-ethoxy-2-(3-(3-mesitylureido)-2-naphthamido)...)
Show SMILES CCOC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O5/c1-5-34-14-22(25(31)32)27-24(30)20-12-18-8-6-7-9-19(18)13-21(20)28-26(33)29-23-16(3)10-15(2)11-17(23)4/h6-13,22H,5,14H2,1-4H3,(H,27,30)(H,31,32)(H2,28,29,33)/t22-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256072
PNG
((S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O |r,wU:7.8,4.4,wD:1.0,(-2.28,-28.91,;-2.28,-30.45,;-3.61,-31.23,;-3.61,-32.77,;-2.28,-33.53,;-.94,-32.75,;-.95,-31.22,;-2.27,-35.07,;-3.6,-35.84,;-3.59,-37.38,;-2.25,-38.15,;-4.92,-38.16,;-6.26,-37.4,;-7.58,-38.17,;-8.92,-37.41,;-10.25,-38.18,;-10.25,-39.73,;-8.91,-40.5,;-7.58,-39.72,;-6.25,-40.48,;-4.91,-39.71,;-3.57,-40.48,;-3.57,-42.02,;-4.9,-42.79,;-2.23,-42.78,;-2.23,-44.32,;-3.56,-45.09,;-4.89,-44.32,;-3.55,-46.63,;-2.21,-47.4,;-2.21,-48.94,;-.88,-46.61,;-.89,-45.08,;.44,-44.3,;-.93,-35.83,;-.92,-37.37,;.4,-35.05,)|
Show InChI InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50255976
PNG
((S)-2-cyclohexyl-2-(3-(3-(2,4,6-trichlorophenyl)ur...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1 |r|
Show InChI InChI=1S/C26H24Cl3N3O4/c27-17-12-19(28)23(20(29)13-17)32-26(36)30-21-11-16-9-5-4-8-15(16)10-18(21)24(33)31-22(25(34)35)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,31,33)(H,34,35)(H2,30,32,36)/t22-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 73n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256712
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES CC(C)C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C35H39N3O5/c1-21(2)15-30(43-20-25-11-7-6-8-12-25)32(34(40)41)37-33(39)28-18-26-13-9-10-14-27(26)19-29(28)36-35(42)38-31-23(4)16-22(3)17-24(31)5/h6-14,16-19,21,30,32H,15,20H2,1-5H3,(H,37,39)(H,40,41)(H2,36,38,42)/t30-,32+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256621
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-(neope...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COCC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H35N3O5/c1-17-11-18(2)25(19(3)12-17)32-28(36)31-23-14-21-10-8-7-9-20(21)13-22(23)26(33)30-24(27(34)35)15-37-16-29(4,5)6/h7-14,24H,15-16H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t24-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha


Bioorg Med Chem Lett 18: 4068-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.102
BindingDB Entry DOI: 10.7270/Q23R0SPM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM27738
PNG
((2S)-2-cyclohexyl-2-[(2-{[(4-ethyl-2,6-dimethylphe...)
Show SMILES CCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C26H32FN3O4/c1-4-17-12-15(2)22(16(3)13-17)30-26(34)28-21-14-19(27)10-11-20(21)24(31)29-23(25(32)33)18-8-6-5-7-9-18/h10-14,18,23H,4-9H2,1-3H3,(H,29,31)(H,32,33)(H2,28,30,34)/t23-/m0/s1
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n/an/a 87n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256392
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2,3-dihydro-...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(Cc3ccccc3C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C31H29N3O4/c1-18-12-19(2)27(20(3)13-18)33-30(38)32-26-15-22-9-5-4-8-21(22)14-25(26)28(35)34-31(29(36)37)16-23-10-6-7-11-24(23)17-31/h4-15H,16-17H2,1-3H3,(H,34,35)(H,36,37)(H2,32,33,38)
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n/an/a 91n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
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