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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen Phosphorylase (PYGL)' and Ligand = 'BDBM50243601'   
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))
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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PubMed
n/an/a 120n/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))
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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PubMed
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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PubMed
n/an/a 1.06E+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))
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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KEGG

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PC sid
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Article
PubMed
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