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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen Phosphorylase (PYGL)' and Ligand = 'BDBM50256168'   
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))
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)
PDB
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Article
PubMed
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))
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)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.05E+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