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Compile Data Set for Download or QSAR

Found 19 hits from Egypt National Research Centre   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release using glucose-1-phosphate as substrate by doubl...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b using alpha-D-glucose-1-phosphate as substrate


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295860
PNG
((2R,3R,4S,5S,6R)-2-(benzo[d]thiazol-2-yl)-6-(hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2s1
Show InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)12(19-7)13-14-6-3-1-2-4-8(6)20-13/h1-4,7,9-12,15-18H,5H2/t7-,9-,10+,11-,12-/m1/s1
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7.60E+4n/an/an/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release using glucose-1-phosphate as substrate by doubl...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295860
PNG
((2R,3R,4S,5S,6R)-2-(benzo[d]thiazol-2-yl)-6-(hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2s1
Show InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)12(19-7)13-14-6-3-1-2-4-8(6)20-13/h1-4,7,9-12,15-18H,5H2/t7-,9-,10+,11-,12-/m1/s1
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2.29E+5n/an/an/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b using alpha-D-glucose-1-phosphate as substrate


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50065965
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant liver glycogen phosphorylase A expressed in baculovirus infected Sf9 insect cells assessed as release of phosphate fr...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196903
PNG
(CHEMBL3916767)
Show SMILES OC1CCN(CC1)C(=O)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H23ClFN3O4/c25-16-3-6-19-15(12-16)13-21(27-19)23(32)28-20(11-14-1-4-17(26)5-2-14)22(31)24(33)29-9-7-18(30)8-10-29/h1-6,12-13,18,20,27,30H,7-11H2,(H,28,32)/t20-/m0/s1
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n/an/a 178n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b using 10 mM of glucose-1-phosphate as substrate preincubated for 60 mins followed by substrate a...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50196903
PNG
(CHEMBL3916767)
Show SMILES OC1CCN(CC1)C(=O)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H23ClFN3O4/c25-16-3-6-19-15(12-16)13-21(27-19)23(32)28-20(11-14-1-4-17(26)5-2-14)22(31)24(33)29-9-7-18(30)8-10-29/h1-6,12-13,18,20,27,30H,7-11H2,(H,28,32)/t20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant liver glycogen phosphorylase A expressed in baculovirus infected Sf9 insect cells assessed as release of phosphate fr...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50196901
PNG
(CHEMBL3986514)
Show SMILES Fc1cc(Cl)c(cc1F)C(=O)NC(=O)Nc1ccsc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C14H7ClF2N4O4S/c15-6-4-8(17)7(16)3-5(6)11(22)19-13(23)18-9-1-2-26-10(9)12-20-21-14(24)25-12/h1-4H,(H,21,24)(H2,18,19,22,23)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant liver glycogen phosphorylase A expressed in baculovirus infected Sf9 insect cells assessed as release of phosphate fr...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196912
PNG
(CHEMBL3969601)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c23-25(24,16-6-2-1-3-7-16)22-15-12-10-14(11-13-15)19-20-17-8-4-5-9-18(17)21-19/h1-13,22H,(H,20,21)
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n/an/a 3.24E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196904
PNG
(CHEMBL3952333)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H14N4O4S/c24-23(25)17-7-3-4-8-18(17)28(26,27)22-14-11-9-13(10-12-14)19-20-15-5-1-2-6-16(15)21-19/h1-12,22H,(H,20,21)
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n/an/a 3.58E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196909
PNG
(CHEMBL3915666)
Show SMILES O=C1NCC(Nc2ccc(cc2)-c2nc3ccccc3[nH]2)=N1
Show InChI InChI=1S/C16H13N5O/c22-16-17-9-14(21-16)18-11-7-5-10(6-8-11)15-19-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 3.97E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196911
PNG
(CHEMBL3932944)
Show SMILES Cc1nn(c(C)c1\N=N\c1ccc(cc1)-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H20N6/c1-16-23(17(2)30(29-16)20-8-4-3-5-9-20)28-27-19-14-12-18(13-15-19)24-25-21-10-6-7-11-22(21)26-24/h3-15H,1-2H3,(H,25,26)/b28-27+
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n/an/a 4.02E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196908
PNG
(CHEMBL3897672)
Show SMILES O=C1NNCC(Nc2ccc(cc2)-c2nc3ccccc3[nH]2)=N1
Show InChI InChI=1S/C16H14N6O/c23-16-21-14(9-17-22-16)18-11-7-5-10(6-8-11)15-19-12-3-1-2-4-13(12)20-15/h1-8,17H,9H2,(H,19,20)(H2,18,21,22,23)
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n/an/a 4.37E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196906
PNG
(CHEMBL3925760)
Show SMILES S=C1NNCC(Nc2ccc(cc2)-c2nc3ccccc3[nH]2)=N1
Show InChI InChI=1S/C16H14N6S/c23-16-21-14(9-17-22-16)18-11-7-5-10(6-8-11)15-19-12-3-1-2-4-13(12)20-15/h1-8,17H,9H2,(H,19,20)(H2,18,21,22,23)
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n/an/a 5.08E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196905
PNG
(CHEMBL3906675)
Show SMILES N=C1NCC(Nc2ccc(cc2)-c2nc3ccccc3[nH]2)=N1
Show InChI InChI=1S/C16H14N6/c17-16-18-9-14(22-16)19-11-7-5-10(6-8-11)15-20-12-3-1-2-4-13(12)21-15/h1-8H,9H2,(H,20,21)(H3,17,18,19,22)
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n/an/a 5.16E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196910
PNG
(CHEMBL3943625)
Show SMILES S=C1NCC(Nc2ccc(cc2)-c2nc3ccccc3[nH]2)=N1
Show InChI InChI=1S/C16H13N5S/c22-16-17-9-14(21-16)18-11-7-5-10(6-8-11)15-19-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 5.31E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196907
PNG
(CHEMBL3904951)
Show SMILES Cc1nn(c(C)c1\N=N\c1ccc(cc1)-c1nc2ccccc2[nH]1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H19N7O2/c1-15-23(16(2)30(29-15)19-11-13-20(14-12-19)31(32)33)28-27-18-9-7-17(8-10-18)24-25-21-5-3-4-6-22(21)26-24/h3-14H,1-2H3,(H,25,26)/b28-27+
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n/an/a 5.32E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50196902
PNG
(CHEMBL3931874)
Show SMILES Cc1n[nH]c(C)c1\N=N\c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N6/c1-11-17(12(2)22-21-11)24-23-14-9-7-13(8-10-14)18-19-15-5-3-4-6-16(15)20-18/h3-10H,1-2H3,(H,19,20)(H,21,22)/b24-23+
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Article
PubMed
n/an/a 6.22E+5n/an/an/an/an/an/a



Egypt National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as subst...


Bioorg Med Chem 24: 5423-5430 (2016)


Article DOI: 10.1016/j.bmc.2016.08.069
BindingDB Entry DOI: 10.7270/Q26D5VZD
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Ligand-Target Pair