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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'al-masri' and Initial = 'im'   
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 synthase kinase-3


(Homo sapiens (human))
BDBM8349
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 0.800n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8350
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 14 | N-[5-...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl
Show InChI InChI=1S/C16H13ClN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 1n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8359
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 23 | N-[5-...)
Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8357
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...)
Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)
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n/an/a 4n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8310
PNG
(N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclope...)
Show SMILES O=C(Nc1n[nH]c2ncc(cc12)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C18H18N4O/c23-18(13-8-4-5-9-13)20-17-15-10-14(11-19-16(15)21-22-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,19,20,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8334
PNG
(5-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[...)
Show SMILES CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8332
PNG
(4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]p...)
Show SMILES O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8364
PNG
(CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...)
Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8351
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 15 | N-[6-...)
Show SMILES Cc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-9-8-13-15(18-14(9)10-4-6-12(22)7-5-10)20-21-16(13)19-17(23)11-2-3-11/h4-8,11,22H,2-3H2,1H3,(H2,18,19,20,21,23)
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n/an/a 6n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8329
PNG
(N-{5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl}butanam...)
Show SMILES CCCC(=O)Nc1n[nH]c2cnc(cc12)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c1-2-6-15(21)18-16-12-9-13(11-7-4-3-5-8-11)17-10-14(12)19-20-16/h3-5,7-10H,2,6H2,1H3,(H2,18,19,20,21)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8331
PNG
(4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[...)
Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C21H27N7O/c1-2-27-11-13-28(14-12-27)10-6-9-19(29)22-20-17-15-18(16-7-4-3-5-8-16)23-25-21(17)26-24-20/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,22,24,25,26,29)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8365
PNG
(N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[3,4-b]...)
Show SMILES Oc1ccc(cc1Cl)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H13ClN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8392
PNG
(CHEMBL408564 | N-[5-bromo-6-(furan-2-yl)-1H-pyrazo...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
Show InChI InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8390
PNG
(CHEMBL407980 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...)
Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
Show InChI InChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8317
PNG
(N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-b]pyridi...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1F
Show InChI InChI=1S/C16H14F2N4O/c1-2-4-13(23)20-16-11-7-9(8-19-15(11)21-22-16)10-5-3-6-12(17)14(10)18/h3,5-8H,2,4H2,1H3,(H2,19,20,21,22,23)
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n/an/a 7n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8341
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 5 | N-[6-(...)
Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H14N4O2/c21-11-5-3-9(4-6-11)13-8-7-12-14(17-13)19-20-15(12)18-16(22)10-1-2-10/h3-8,10,21H,1-2H2,(H2,17,18,19,20,22)
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n/an/a 8n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8343
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 7 | N-[6-(...)
Show SMILES Oc1ccc(cc1O)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H14N4O3/c21-12-6-3-9(7-13(12)22)11-5-4-10-14(17-11)19-20-15(10)18-16(23)8-1-2-8/h3-8,21-22H,1-2H2,(H2,17,18,19,20,23)
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n/an/a 8n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8333
PNG
(1-methyl-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3...)
Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25)
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n/an/a 9n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8328
PNG
(N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}-4-(p...)
Show SMILES O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c26-17(9-6-12-25-10-4-5-11-25)20-18-15-13-16(14-7-2-1-3-8-14)21-23-19(15)24-22-18/h1-3,7-8,13H,4-6,9-12H2,(H2,20,22,23,24,26)
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n/an/a 11n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8319
PNG
(N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C15H15N5O/c1-2-4-13(21)18-15-12-7-11(9-17-14(12)19-20-15)10-5-3-6-16-8-10/h3,5-9H,2,4H2,1H3,(H2,17,18,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8344
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 8 | CHEMBL...)
Show SMILES Oc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H14N4O2/c21-11-3-1-2-10(8-11)13-7-6-12-14(17-13)19-20-15(12)18-16(22)9-4-5-9/h1-3,6-9,21H,4-5H2,(H2,17,18,19,20,22)
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n/an/a 12n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8358
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 22 | N-[6-...)
Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H21N5O2/c1-24-10-8-13(9-11-24)19(26)21-18-15-6-7-16(20-17(15)22-23-18)12-2-4-14(25)5-3-12/h2-7,13,25H,8-11H2,1H3,(H2,20,21,22,23,26)
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n/an/a 12n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8396
PNG
(1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4...)
Show SMILES Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
Show InChI InChI=1S/C22H20BrN5O2/c23-17-11-16-20(24-19(17)18-7-4-10-30-18)26-27-21(16)25-22(29)15-8-9-28(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H2,24,25,26,27,29)
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n/an/a 14n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8370
PNG
(N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclopropan...)
Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)
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n/an/a 15n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8394
PNG
(CHEMBL406644 | N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-...)
Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
Show InChI InChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8315
PNG
(N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1F
Show InChI InChI=1S/C16H15FN4O/c1-2-5-14(22)19-16-12-8-10(9-18-15(12)20-21-16)11-6-3-4-7-13(11)17/h3-4,6-9H,2,5H2,1H3,(H2,18,19,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373090
PNG
(CHEMBL260680)
Show SMILES CN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
Show InChI InChI=1S/C18H20BrN5OS/c1-24-6-4-11(5-7-24)9-15(25)20-17-12-10-13(19)16(14-3-2-8-26-14)21-18(12)23-22-17/h2-3,8,10-11H,4-7,9H2,1H3,(H2,20,21,22,23,25)
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n/an/a 18n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8309
PNG
(2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-y...)
Show SMILES CC(C)C(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c1-10(2)16(21)18-15-13-8-12(9-17-14(13)19-20-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8316
PNG
(N-[5-(3-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H15FN4O/c1-2-4-14(22)19-16-13-8-11(9-18-15(13)20-21-16)10-5-3-6-12(17)7-10/h3,5-9H,2,4H2,1H3,(H2,18,19,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8255
PNG
(3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(3-nitro...)
Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl
Show InChI InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-2-1-3-9(4-7)21(25)26/h1-6,22H,(H2,19,20,23,24)
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n/an/a 20n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8360
PNG
(4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1...)
Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(ccc23)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H28N6O2/c1-2-27-11-13-28(14-12-27)10-4-7-20(30)24-22-18-8-9-19(23-21(18)25-26-22)16-5-3-6-17(29)15-16/h3,5-6,8-9,15,29H,2,4,7,10-14H2,1H3,(H2,23,24,25,26,30)
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n/an/a 21n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8327
PNG
(4-(dimethylamino)-N-{5-phenyl-1H-pyrazolo[3,4-c]py...)
Show SMILES CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H20N6O/c1-23(2)10-6-9-15(24)18-16-13-11-14(12-7-4-3-5-8-12)19-21-17(13)22-20-16/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,18,20,21,22,24)
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n/an/a 22n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8348
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 12 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c27-16-10-8-14(9-11-16)19-17(13-4-2-1-3-5-13)12-18-20(23-19)25-26-21(18)24-22(28)15-6-7-15/h1-5,8-12,15,27H,6-7H2,(H2,23,24,25,26,28)
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n/an/a 24n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373079
PNG
(CHEMBL156379)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)ccc1Cl
Show InChI InChI=1S/C17H10ClN3O6/c18-12-5-4-9(7-11(12)17(24)25)19-14-13(15(22)20-16(14)23)8-2-1-3-10(6-8)21(26)27/h1-7H,(H,24,25)(H2,19,20,22,23)
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n/an/a 26n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8318
PNG
(N-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN4O/c1-2-5-14(22)19-16-12-8-10(9-18-15(12)20-21-16)11-6-3-4-7-13(11)17/h3-4,6-9H,2,5H2,1H3,(H2,18,19,20,21,22)
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n/an/a 27n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373086
PNG
(CHEMBL160586)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)ccc1Cl
Show InChI InChI=1S/C17H10ClN3O6/c18-11-6-5-8(7-10(11)17(24)25)19-14-13(15(22)20-16(14)23)9-3-1-2-4-12(9)21(26)27/h1-7H,(H,24,25)(H2,19,20,22,23)
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n/an/a 28n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8386
PNG
(CHEMBL260243 | N-[6-(furan-3-yl)-1H-indazol-3-yl]c...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
Show InChI InChI=1S/C15H13N3O2/c19-15(9-1-2-9)16-14-12-4-3-10(7-13(12)17-18-14)11-5-6-20-8-11/h3-9H,1-2H2,(H2,16,17,18,19)
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n/an/a 35n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8346
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 10 | N-[6-...)
Show SMILES Oc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H14N4O2/c21-13-4-2-1-3-10(13)12-8-7-11-14(17-12)19-20-15(11)18-16(22)9-5-6-9/h1-4,7-9,21H,5-6H2,(H2,17,18,19,20,22)
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n/an/a 36n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8389
PNG
(CHEMBL260231 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
Show InChI InChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
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n/an/a 39n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8371
PNG
(CHEMBL261659 | N-[6-(1H-indol-5-yl)-1H-indazol-3-y...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(11-1-2-11)21-18-15-5-3-13(10-17(15)22-23-18)12-4-6-16-14(9-12)7-8-20-16/h3-11,20H,1-2H2,(H2,21,22,23,24)
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n/an/a 42n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8307
PNG
(N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propana...)
Show SMILES CCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C15H14N4O/c1-2-13(20)17-15-12-8-11(9-16-14(12)18-19-15)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,16,17,18,19,20)
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n/an/a 43n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373088
PNG
(CHEMBL158885)
Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H9Cl2N3O5/c17-9-5-7(6-10(18)14(9)22)19-13-12(15(23)20-16(13)24)8-3-1-2-4-11(8)21(25)26/h1-6,22H,(H2,19,20,23,24)
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n/an/a 52n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8308
PNG
(N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}butanam...)
Show SMILES CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c1-2-6-14(21)18-16-13-9-12(10-17-15(13)19-20-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21)
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n/an/a 56n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8253
PNG
(3-(3-chlorophenyl)-4-[(3,5-dichloro-4-hydroxypheny...)
Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl
Show InChI InChI=1S/C16H9Cl3N2O3/c17-8-3-1-2-7(4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24)
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n/an/a 58n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373081
PNG
(CHEMBL345348)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H10ClN3O5/c17-11-7-9(4-5-12(11)21)18-14-13(15(22)19-16(14)23)8-2-1-3-10(6-8)20(24)25/h1-7,21H,(H2,18,19,22,23)
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n/an/a 59n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373084
PNG
(CHEMBL345801)
Show SMILES [O-][N+](=O)c1cccc(c1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O
Show InChI InChI=1S/C16H10ClN3O4/c17-10-4-2-5-11(8-10)18-14-13(15(21)19-16(14)22)9-3-1-6-12(7-9)20(23)24/h1-8H,(H2,18,19,21,22)
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n/an/a 70n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50373077
PNG
(CHEMBL347681)
Show SMILES Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-1-3-9(4-2-7)21(25)26/h1-6,22H,(H2,19,20,23,24)
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n/an/a 71n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8267
PNG
(2-chloro-5-{[4-(2-chlorophenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O4/c18-11-4-2-1-3-9(11)13-14(16(23)21-15(13)22)20-8-5-6-12(19)10(7-8)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
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n/an/a 74n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8353
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 17 | CHEMB...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
Show InChI InChI=1S/C16H13BrN4O/c17-12-8-11-14(18-13(12)9-4-2-1-3-5-9)20-21-15(11)19-16(22)10-6-7-10/h1-5,8,10H,6-7H2,(H2,18,19,20,21,22)
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n/an/a 75n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8269
PNG
(2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
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n/an/a 76n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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