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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'golden' and Initial = 'pl'   
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 (PYGL)


(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 (PYGL)


(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
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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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 (PYGL)


(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
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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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 (PYGL)


(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
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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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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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 (PYGL)


(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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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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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 (PYGL)


(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
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 (PYGL)


(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 (PYGL)


(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 (PYGL)


(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
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 (PYGL)


(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
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
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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
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 (PYGL)


(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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256622
PNG
((S)-3-butoxy-2-(3-(3-mesitylureido)-2-naphthamido)...)
Show SMILES CCCCOC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O5/c1-5-6-11-36-16-24(27(33)34)29-26(32)22-14-20-9-7-8-10-21(20)15-23(22)30-28(35)31-25-18(3)12-17(2)13-19(25)4/h7-10,12-15,24H,5-6,11,16H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)/t24-/m0/s1
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n/an/a 95n/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 (PYGL)


(Homo sapiens (Human))
BDBM50256116
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(tetrahydr...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCOCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O5/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-7-5-4-6-20(21)14-22(23)26(32)30-25(27(33)34)19-8-10-36-11-9-19/h4-7,12-15,19,25H,8-11H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)
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n/an/a 97n/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 (PYGL)


(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
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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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 (PYGL)


(Homo sapiens (Human))
BDBM50256520
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-4-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-15(2)10-23(26(32)33)28-25(31)21-13-19-8-6-7-9-20(19)14-22(21)29-27(34)30-24-17(4)11-16(3)12-18(24)5/h6-9,11-15,23H,10H2,1-5H3,(H,28,31)(H,32,33)(H2,29,30,34)/t23-/m0/s1
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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 (PYGL)


(Homo sapiens (Human))
BDBM50256168
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(1,4-dioxa...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC3(CC2)OCCO3)C(O)=O)c(C)c1
Show InChI InChI=1S/C31H35N3O6/c1-18-14-19(2)26(20(3)15-18)34-30(38)32-25-17-23-7-5-4-6-22(23)16-24(25)28(35)33-27(29(36)37)21-8-10-31(11-9-21)39-12-13-40-31/h4-7,14-17,21,27H,8-13H2,1-3H3,(H,33,35)(H,36,37)(H2,32,34,38)
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n/an/a 106n/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 (PYGL)


(Homo sapiens (Human))
BDBM50256523
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)heptanoic aci...)
Show SMILES CCCCCC(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-5-6-7-12-23(27(33)34)29-26(32)22-15-20-10-8-9-11-21(20)16-24(22)30-28(35)31-25-18(3)13-17(2)14-19(25)4/h8-11,13-16,23H,5-7,12H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)
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n/an/a 114n/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 (PYGL)


(Homo sapiens (Human))
BDBM50243678
PNG
((S)-2-(2-(3-(2,6-dimethylphenyl)ureido)-2-naphtham...)
Show SMILES Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H23N3O6/c1-13-6-5-7-14(2)21(13)27-24(33)26-18-11-16-9-4-3-8-15(16)10-17(18)22(30)25-19(23(31)32)12-20(28)29/h3-11,19H,12H2,1-2H3,(H,25,30)(H,28,29)(H,31,32)(H2,26,27,33)/t19-/m0/s1
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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 (PYGL)


(Homo sapiens (Human))
BDBM50243601
PNG
((S)-2-cyclohexyl-2-(2-(3-(2,6-dimethylphenyl)ureid...)
Show SMILES Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C28H31N3O4/c1-17-9-8-10-18(2)24(17)31-28(35)29-23-16-21-14-7-6-13-20(21)15-22(23)26(32)30-25(27(33)34)19-11-4-3-5-12-19/h6-10,13-16,19,25H,3-5,11-12H2,1-2H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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n/an/a 120n/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 (PYGL)


(Homo sapiens (Human))
BDBM50243601
PNG
((S)-2-cyclohexyl-2-(2-(3-(2,6-dimethylphenyl)ureid...)
Show SMILES Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C28H31N3O4/c1-17-9-8-10-18(2)24(17)31-28(35)29-23-16-21-14-7-6-13-20(21)15-22(23)26(32)30-25(27(33)34)19-11-4-3-5-12-19/h6-10,13-16,19,25H,3-5,11-12H2,1-2H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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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 (PYGL)


(Homo sapiens (Human))
BDBM50256522
PNG
(6,6,6-trifluoro-2-(3-(3-mesitylureido)-2-naphthami...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(CCCC(F)(F)F)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H28F3N3O4/c1-15-11-16(2)23(17(3)12-15)33-26(37)32-22-14-19-8-5-4-7-18(19)13-20(22)24(34)31-21(25(35)36)9-6-10-27(28,29)30/h4-5,7-8,11-14,21H,6,9-10H2,1-3H3,(H,31,34)(H,35,36)(H2,32,33,37)
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n/an/a 123n/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 (PYGL)


(Homo sapiens (Human))
BDBM50256118
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-2-((S)-3...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@H]2CCCC(=O)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
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n/an/a 132n/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 (PYGL)


(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
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 139n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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 (PYGL)


(Homo sapiens (Human))
BDBM50256576
PNG
((S)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES CC(C)OC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O5/c1-15(2)35-14-23(26(32)33)28-25(31)21-12-19-8-6-7-9-20(19)13-22(21)29-27(34)30-24-17(4)10-16(3)11-18(24)5/h6-13,15,23H,14H2,1-5H3,(H,28,31)(H,32,33)(H2,29,30,34)/t23-/m0/s1
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n/an/a 148n/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 (PYGL)


(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
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 156n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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 (PYGL)


(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
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 159n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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
Cytochrome P450 2C9


(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
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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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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 (PYGL)


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a 199n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256073
PNG
((S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C30H32Cl3N3O4/c1-30(2,3)19-10-8-16(9-11-19)25(28(38)39)35-27(37)21-12-17-6-4-5-7-18(17)13-24(21)34-29(40)36-26-22(32)14-20(31)15-23(26)33/h4-7,12-16,19,25H,8-11H2,1-3H3,(H,35,37)(H,38,39)(H2,34,36,40)/t16-,19+,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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 (PYGL)


(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
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 224n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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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