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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 = 'BDBM50243599'   
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))
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))
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 100n/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))
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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PubMed
n/an/a 320n/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))
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
PDB
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Reactome pathway
KEGG

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PC sid
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Article
PubMed
n/an/a 320n/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