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32 similar compounds to monomer 27725

Compile data set for download or QSAR
Wt: 501.5
BDBM50256117
Wt: 501.5
BDBM50256118
Wt: 487.5
BDBM50256328
Wt: 501.6
BDBM50256329
Wt: 529.6
BDBM50256330
Wt: 517.6
BDBM50256167
Wt: 501.6
BDBM50256169
Wt: 473.5
BDBM50256270
Wt: 512.8
BDBM50243550
Wt: 493.9
BDBM50243551
Wt: 482.9
BDBM50243488
Wt: 482.9
BDBM50243489
Wt: 443.9
BDBM50243490
Wt: 493.9
BDBM50243351
Wt: 467.9
BDBM50243353
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50256117,50256118,50256328,50256329,50256330,50256167,50256169,50256270,50243550,50243551,50243488,50243489,50243490,50243351,50243353   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50243551
PNG
((S)-2-(1-(3-(2-chloro-6-methylphenyl)ureido)-1-nap...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1ccc(C(=O)N[C@@H](C2CCCCC2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-14-20(18-11-5-6-12-19(18)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 1.00E+5n/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
Cytochrome P450 2C9


(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>3.30E+4n/an/an/an/an/an/a



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))
BDBM50243490
PNG
((S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)benzam...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H26ClN3O4/c1-14-8-7-12-17(24)19(14)27-23(31)25-18-13-6-5-11-16(18)21(28)26-20(22(29)30)15-9-3-2-4-10-15/h5-8,11-13,15,20H,2-4,9-10H2,1H3,(H,26,28)(H,29,30)(H2,25,27,31)/t20-/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))
BDBM50243489
PNG
((S)-6-amino-2-(2-(3-(2-chloro-6-methylphenyl)ureid...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C25H27ClN4O4/c1-15-7-6-10-19(26)22(15)30-25(34)29-21-14-17-9-3-2-8-16(17)13-18(21)23(31)28-20(24(32)33)11-4-5-12-27/h2-3,6-10,13-14,20H,4-5,11-12,27H2,1H3,(H,28,31)(H,32,33)(H2,29,30,34)/t20-/m0/s1
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n/an/a 3.00E+3n/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))
BDBM50243488
PNG
((S)-5-amino-2-(2-(3-(2-chloro-6-methylphenyl)ureid...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C24H23ClN4O5/c1-13-5-4-8-17(25)21(13)29-24(34)28-19-12-15-7-3-2-6-14(15)11-16(19)22(31)27-18(23(32)33)9-10-20(26)30/h2-8,11-12,18H,9-10H2,1H3,(H2,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-/m0/s1
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n/an/a 1.30E+3n/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))
BDBM50243353
PNG
((2S,3S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(O)=O
Show InChI InChI=1S/C25H26ClN3O4/c1-4-14(2)22(24(31)32)28-23(30)18-12-16-9-5-6-10-17(16)13-20(18)27-25(33)29-21-15(3)8-7-11-19(21)26/h5-14,22H,4H2,1-3H3,(H,28,30)(H,31,32)(H2,27,29,33)/t14-,22-/m0/s1
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n/an/a 280n/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))
BDBM50243351
PNG
((R)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-nap...)
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-/m1/s1
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n/an/a 4.20E+3n/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))
BDBM50243490
PNG
((S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)benzam...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H26ClN3O4/c1-14-8-7-12-17(24)19(14)27-23(31)25-18-13-6-5-11-16(18)21(28)26-20(22(29)30)15-9-3-2-4-10-15/h5-8,11-13,15,20H,2-4,9-10H2,1H3,(H,26,28)(H,29,30)(H2,25,27,31)/t20-/m0/s1
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n/an/a>7.50E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha in HepG2 cells assessed as inhibition of forskolin-induced glycogenolysis after 60 mins


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))
BDBM50243489
PNG
((S)-6-amino-2-(2-(3-(2-chloro-6-methylphenyl)ureid...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C25H27ClN4O4/c1-15-7-6-10-19(26)22(15)30-25(34)29-21-14-17-9-3-2-8-16(17)13-18(21)23(31)28-20(24(32)33)11-4-5-12-27/h2-3,6-10,13-14,20H,4-5,11-12,27H2,1H3,(H,28,31)(H,32,33)(H2,29,30,34)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha in HepG2 cells assessed as inhibition of forskolin-induced glycogenolysis after 60 mins


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))
BDBM50243353
PNG
((2S,3S)-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(O)=O
Show InChI InChI=1S/C25H26ClN3O4/c1-4-14(2)22(24(31)32)28-23(30)18-12-16-9-5-6-10-17(16)13-20(18)27-25(33)29-21-15(3)8-7-11-19(21)26/h5-14,22H,4H2,1-3H3,(H,28,30)(H,31,32)(H2,27,29,33)/t14-,22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha in HepG2 cells assessed as inhibition of forskolin-induced glycogenolysis after 60 mins


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))
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
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))
BDBM50256167
PNG
((S)-2-((1s,4R)-4-(hydroxymethyl)cyclohexyl)-2-(3-(...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H]2CC[C@H](CO)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O5/c1-17-12-18(2)26(19(3)13-17)33-30(38)31-25-15-23-7-5-4-6-22(23)14-24(25)28(35)32-27(29(36)37)21-10-8-20(16-34)9-11-21/h4-7,12-15,20-21,27,34H,8-11,16H2,1-3H3,(H,32,35)(H,36,37)(H2,31,33,38)/t20-,21+,27-/m0/s1
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n/an/a 1.70E+4n/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))
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))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a 339n/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))
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))
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))
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>1.00E+4n/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
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>1.00E+4n/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
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 350n/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
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a 1.39E+3n/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
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 585n/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
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 498n/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
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 443n/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
Cytochrome P450 2C9


(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 9.40E+3n/an/an/an/an/an/a



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
Cytochrome P450 2C9


(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 9.20E+3n/an/an/an/an/an/a



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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a>3.30E+4n/an/an/an/an/an/a



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
Cytochrome P450 2C9


(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 4.10E+3n/an/an/an/an/an/a



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))
BDBM50243550
PNG
((S)-2-cyclohexyl-2-(3,6-dichloro-2-(3-(2-chloro-6-...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H24Cl3N3O4/c1-12-6-5-9-15(25)18(12)28-23(33)29-20-16(26)11-10-14(24)17(20)21(30)27-19(22(31)32)13-7-3-2-4-8-13/h5-6,9-11,13,19H,2-4,7-8H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-/m0/s1
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n/an/a>2.50E+4n/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