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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'czifrák' and Initial = 'k'   
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))
BDBM50263826
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(2-naphth...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C17H17NO6S/c19-8-12-13(20)14(21)15(22)17(23-12)24-18-16(25-17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,19-22H,8H2/t12-,13-,14+,15-,17+/m1/s1
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160n/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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263826
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(2-naphth...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C17H17NO6S/c19-8-12-13(20)14(21)15(22)17(23-12)24-18-16(25-17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,19-22H,8H2/t12-,13-,14+,15-,17+/m1/s1
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160n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
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350n/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


(Oryctolagus cuniculus (rabbit))
BDBM50263768
PNG
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)
Show SMILES OC[C@H]1O[C@@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1
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3.10E+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


(Oryctolagus cuniculus (rabbit))
BDBM50263771
PNG
(1-benzoyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
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4.60E+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


(Oryctolagus cuniculus (rabbit))
BDBM50263772
PNG
(1-(1-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
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5.00E+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


(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


(Oryctolagus cuniculus (rabbit))
BDBM50263825
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-methox...)
Show SMILES COc1ccc(cc1)C1=NO[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1 |r,t:9|
Show InChI InChI=1S/C14H17NO7S/c1-20-8-4-2-7(3-5-8)13-15-22-14(23-13)12(19)11(18)10(17)9(6-16)21-14/h2-5,9-12,16-19H,6H2,1H3/t9-,10-,11+,12-,14+/m1/s1
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8.00E+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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263825
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-methox...)
Show SMILES COc1ccc(cc1)C1=NO[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1 |r,t:9|
Show InChI InChI=1S/C14H17NO7S/c1-20-8-4-2-7(3-5-8)13-15-22-14(23-13)12(19)11(18)10(17)9(6-16)21-14/h2-5,9-12,16-19H,6H2,1H3/t9-,10-,11+,12-,14+/m1/s1
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8.20E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263723
PNG
(CHEMBL488967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
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1.00E+4n/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 (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263823
PNG
((5S,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-d...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C13H15NO6S/c15-6-8-9(16)10(17)11(18)13(19-8)20-14-12(21-13)7-4-2-1-3-5-7/h1-5,8-11,15-18H,6H2/t8-,9-,10+,11-,13+/m1/s1
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2.60E+4n/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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263823
PNG
((5S,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-d...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C13H15NO6S/c15-6-8-9(16)10(17)11(18)13(19-8)20-14-12(21-13)7-4-2-1-3-5-7/h1-5,8-11,15-18H,6H2/t8-,9-,10+,11-,13+/m1/s1
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2.60E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263824
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-fluoro...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C13H14FNO6S/c14-7-3-1-6(2-4-7)12-15-21-13(22-12)11(19)10(18)9(17)8(5-16)20-13/h1-4,8-11,16-19H,5H2/t8-,9-,10+,11-,13+/m1/s1
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2.80E+4n/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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50240802
PNG
(1-N-ACETYL-BETA-D-GLUCOSAMINE | CHEMBL335315 | N-(...)
Show SMILES CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
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3.20E+4n/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


(Oryctolagus cuniculus (rabbit))
BDBM50263824
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-fluoro...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C13H14FNO6S/c14-7-3-1-6(2-4-7)12-15-21-13(22-12)11(19)10(18)9(17)8(5-16)20-13/h1-4,8-11,16-19H,5H2/t8-,9-,10+,11-,13+/m1/s1
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4.80E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
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
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


(Oryctolagus cuniculus (rabbit))
BDBM50304282
PNG
(CHEMBL610629 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)C2=COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r,t:8|
Show InChI InChI=1S/C15H17NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,6,9,11-13,15,17-20H,5H2,(H,16,21)/t9-,11-,12+,13-,15-/m1/s1
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8.50E+4n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304281
PNG
((S)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,9-13,15,17-20H,5-6H2,(H,16,21)/t9-,10+,11-,12+,13-,15-/m1/s1
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Article
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304280
PNG
((R)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,9-13,15,17-20H,5-6H2,(H,16,21)/t9-,10-,11-,12+,13-,15-/m1/s1
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1.28E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304278
PNG
(8-methoxy-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...)
Show SMILES COc1cc(cc2OCCOc12)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO9/c1-23-8-4-7(5-9-14(8)25-3-2-24-9)15(22)17-16-13(21)12(20)11(19)10(6-18)26-16/h4-5,10-13,16,18-21H,2-3,6H2,1H3,(H,17,22)/t10-,11-,12+,13-,16-/m1/s1
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2.32E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304277
PNG
(CHEMBL611030 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccc3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-6-10-11(18)12(19)13(20)15(24-10)16-14(21)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5,10-13,15,17-20H,3-4,6H2,(H,16,21)/t10-,11-,12+,13-,15-/m1/s1
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2.52E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304279
PNG
(8-bromo-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cc(Br)c3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H18BrNO8/c16-7-3-6(4-8-13(7)24-2-1-23-8)14(22)17-15-12(21)11(20)10(19)9(5-18)25-15/h3-4,9-12,15,18-21H,1-2,5H2,(H,17,22)/t9-,10-,11+,12-,15-/m1/s1
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2.68E+5n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50263770
PNG
(1-acetyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h...)
Show SMILES CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
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Article
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3.05E+5n/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


(Oryctolagus cuniculus (rabbit))
BDBM50263722
PNG
(CHEMBL450104 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
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4.44E+5n/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 (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295313
PNG
(CHEMBL550360 | N-(beta-D-Glucopyranosyl)-4-cyanobe...)
Show SMILES OC[C@H]1O[C@@H](N=C(NO)c2ccc(cc2)C#N)[C@H](O)[C@@H](O)[C@@H]1O |r,w:6.6|
Show InChI InChI=1S/C14H17N3O6/c15-5-7-1-3-8(4-2-7)13(17-22)16-14-12(21)11(20)10(19)9(6-18)23-14/h1-4,9-12,14,18-22H,6H2,(H,16,17)/t9-,10-,11+,12-,14-/m1/s1
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1.80E+6n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304282
PNG
(CHEMBL610629 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)C2=COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r,t:8|
Show InChI InChI=1S/C15H17NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,6,9,11-13,15,17-20H,5H2,(H,16,21)/t9-,11-,12+,13-,15-/m1/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295314
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-nitrop...)
Show SMILES OCC1OC2(S[C-](N=[O+]2)c2ccc(cc2)[N+]([O-])=O)C(O)C(O)C1O |c:7|
Show InChI InChI=1S/C13H14N2O8S/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(24-13)6-1-3-7(4-2-6)15(20)21/h1-4,8-11,16-19H,5H2
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burk plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295316
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-[(4-pheny...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C19H19NO6S/c21-10-14-15(22)16(23)17(24)19(25-14)26-20-18(27-19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,21-24H,10H2/t14-,15-,16+,17-,19+/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burk plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304281
PNG
((S)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,9-13,15,17-20H,5-6H2,(H,16,21)/t9-,10+,11-,12+,13-,15-/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304280
PNG
((R)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-5-9-11(18)12(19)13(20)15(24-9)16-14(21)10-6-22-7-3-1-2-4-8(7)23-10/h1-4,9-13,15,17-20H,5-6H2,(H,16,21)/t9-,10-,11-,12+,13-,15-/m1/s1
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304278
PNG
(8-methoxy-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...)
Show SMILES COc1cc(cc2OCCOc12)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H21NO9/c1-23-8-4-7(5-9-14(8)25-3-2-24-9)15(22)17-16-13(21)12(20)11(19)10(6-18)26-16/h4-5,10-13,16,18-21H,2-3,6H2,1H3,(H,17,22)/t10-,11-,12+,13-,16-/m1/s1
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n/an/a 5.80E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304277
PNG
(CHEMBL611030 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccc3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H19NO8/c17-6-10-11(18)12(19)13(20)15(24-10)16-14(21)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5,10-13,15,17-20H,3-4,6H2,(H,16,21)/t10-,11-,12+,13-,15-/m1/s1
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n/an/a 6.30E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50304279
PNG
(8-bromo-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cc(Br)c3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H18BrNO8/c16-7-3-6(4-8-13(7)24-2-1-23-8)14(22)17-15-12(21)11(20)10(19)9(5-18)25-15/h3-4,9-12,15,18-21H,1-2,5H2,(H,17,22)/t9-,10-,11+,12-,15-/m1/s1
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n/an/a 6.70E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 6738-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.052
BindingDB Entry DOI: 10.7270/Q22807PV
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295315
PNG
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-cyanop...)
Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc(cc2)C#N)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6|
Show InChI InChI=1S/C14H14N2O6S/c15-5-7-1-3-8(4-2-7)13-16-22-14(23-13)12(20)11(19)10(18)9(6-17)21-14/h1-4,9-12,17-20H,6H2/t9-,10-,11+,12-,14+/m1/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burk plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295312
PNG
(1-S-(Z)-4-Nitrobenzhydroximoyl-1-thio-beta-D-gluco...)
Show SMILES OC[C@H]1O[C@@H](SC(N=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H16N2O8S/c16-5-8-9(17)10(18)11(19)13(23-8)24-12(14-20)6-1-3-7(4-2-6)15(21)22/h1-4,8-13,16-19H,5H2/t8-,9-,10+,11-,12?,13+/m1/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burk plot analysis


Bioorg Med Chem 17: 5696-707 (2009)


Article DOI: 10.1016/j.bmc.2009.05.080
BindingDB Entry DOI: 10.7270/Q2FT8M29
More data for this
Ligand-Target Pair