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PDB code 2QN1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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))
BDBM50241487
PNG
(2,3,6,23-tetrahydroxyurs-12-en-28-oic acid | Asiat...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/s2
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PDB
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 46: 2011-21 (2011)

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

Similar Ligands in BindingDB*

Found 5 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))
BDBM23197
PNG
((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/s2
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Article
PubMed
n/an/a 9.00E+3n/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...


J Med Chem 51: 3540-54 (2008)

More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM23198
PNG
((1S,2R,4aS,6aS,6bR,10R,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23-,24+,27+,28-,29-,30+/s2
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Article
PubMed
n/an/a 1.90E+4n/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...


J Med Chem 51: 3540-54 (2008)

More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM23199
PNG
((1S,2R,4aS,6aS,6bR,10R,11R,12aR,12bR,14bS)-10,11-d...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23+,24+,27+,28-,29-,30+/s2
PDB
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PC cid
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Article
PubMed
n/an/a 2.00E+4n/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...


J Med Chem 51: 3540-54 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM23201
PNG
((1S,2R,4aS,6aS,6bR,10R,11S,12aR,12bR,14bS)-10,11-d...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21?,22-,23+,24+,27+,28-,29-,30+/s2
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.16E+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...


J Med Chem 51: 3540-54 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form

  (842/842 = 100%)
(Oryctolagus cuniculus (rabbit))
BDBM23200
PNG
((1S,2R,4aS,6aS,6bR,10S,11R,12aR,12bR,14bS)-10,11-d...)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21?,22-,23+,24-,27+,28-,29-,30+/s2
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.13E+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...


J Med Chem 51: 3540-54 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

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