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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glycogen phosphorylase, muscle form' and Ligand = 'BDBM50263769'   
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, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263769
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem Lett 18: 5680-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50263769
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Lajos Kossuth University

Curated by ChEMBL


Assay Description
Inhibitor constant was measured against Muscle phosphorylase b in rabbit


Bioorg Med Chem Lett 9: 1385-90 (1999)


BindingDB Entry DOI: 10.7270/Q2W66M82
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263769
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
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5.10E+3n/an/an/an/an/an/a6.8n/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8


Bioorg Med Chem 20: 1801-16 (2012)


Article DOI: 10.1016/j.bmc.2011.12.059
BindingDB Entry DOI: 10.7270/Q2SN09DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263769
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b


Eur J Med Chem 108: 444-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.004
BindingDB Entry DOI: 10.7270/Q2QR500M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50263769
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



Lajos Kossuth University

Curated by ChEMBL


Assay Description
Inhibitor constant was measured against Muscle phosphorylase a in rabbit


Bioorg Med Chem Lett 9: 1385-90 (1999)


BindingDB Entry DOI: 10.7270/Q2W66M82
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)