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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 = 'BDBM50256072'   
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))
BDBM50256072
PNG
((S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 56n/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))
BDBM50256072
PNG
((S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 845n/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