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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen phosphorylase, brain form' and Ligand = 'BDBM50240801'   
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, brain form


(Homo sapiens (Human))
BDBM50240801
PNG
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
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Article
PubMed
8.10E+4n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rabbit glycogen phosphorylase B enzyme


J Med Chem 40: 1455-64 (1997)


Article DOI: 10.1021/jm9608016
BindingDB Entry DOI: 10.7270/Q26T0N9N
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50240801
PNG
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
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Article
PubMed
8.10E+4n/an/an/an/an/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibitory binding constant against glycogen phosphorylase B


J Med Chem 47: 3075-88 (2004)


Article DOI: 10.1021/jm030586a
BindingDB Entry DOI: 10.7270/Q2930TXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50240801
PNG
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
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8.10E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibitory activity against muscle Glycogen Phosphorylase b


J Med Chem 44: 2843-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9JZQ
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50240801
PNG
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
PDB

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1.44E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibitory activity against muscle Glycogen Phosphorylase b


J Med Chem 44: 2843-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NV9JZQ
More data for this
Ligand-Target Pair