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PDB code 1C8L

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 12 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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KEGG

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Article
PubMed
n/an/a 7.49E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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KEGG

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Article
PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a assessed as release of phosphate from glucose-1-phosphate after 25 mins using malachite green st...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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KEGG

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PubMed
n/an/a 8.31E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Binding affinity to rabbit muscular GPa,b by NMR binding assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 1.14E+5n/an/an/an/a7.222



China Pharmaceutical University



Assay Description
The activity of the compounds is determined by measuring the inhibitory effect of the compounds in the direction of glycogen synthesis, the conversio...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit muscle GPa


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GPa


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscle glycogen phosphorylase

  (819/841 = 97%)
(Homo sapiens)
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glycogen phosphorylase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PDB
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PubMed
n/an/a 1.44E+5n/an/an/an/an/an/a



Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde, 067000, China



Assay Description
Rabbit muscle glycogen phosphorylase a (RMGPa) activity was measured by the release of phosphate from glucose-1-phosphate at 655 nm. Each compound wa...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
n/an/a 2.29E+5n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase-a assessed as formation of inorganic phosphate from glucose-1-phosphate by colorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output