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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 = 'BDBM50256116'   
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))
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)
PDB
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Article
PubMed
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))
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)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.87E+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