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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'el sayed' and Initial = 'ka'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50559346
PNG
(CHEMBL4763836)
Show SMILES CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(C)c5)c(Cl)c4)c3c2)CC1
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50559344
PNG
(CHEMBL4796265)
Show SMILES CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332525
PNG
(CHEMBL1630488 | N-(4-methoxyphenyl)-5-(4-nitrophen...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N4O4/c1-22-13-8-4-11(5-9-13)16-15-18-17-14(23-15)10-2-6-12(7-3-10)19(20)21/h2-9H,1H3,(H,16,18)
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n/an/a 7n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50559342
PNG
(CHEMBL4793731)
Show SMILES CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50559343
PNG
(CHEMBL4783947)
Show SMILES OCCNCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant HER2 (675 to 1255) (unknown origin) expressed in baculovirus infected Sf9 insect cells using poly-Glu-Tyr as substrate incu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332529
PNG
(4-(9H-purin-6-ylamino)-2-((bis(2-chloroethyl)amino...)
Show SMILES Oc1ccc(Nc2ncnc3nc[nH]c23)cc1CN(CCCl)CCCl
Show InChI InChI=1S/C16H18Cl2N6O/c17-3-5-24(6-4-18)8-11-7-12(1-2-13(11)25)23-16-14-15(20-9-19-14)21-10-22-16/h1-2,7,9-10,25H,3-6,8H2,(H2,19,20,21,22,23)
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n/an/a 10.8n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50559345
PNG
(CHEMBL4782561)
Show SMILES OCCNCc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)c2c1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332538
PNG
(CHEMBL1630452 | N-(3-chloro-4-methylphenyl)-5-(4-n...)
Show SMILES Cc1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19)
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n/an/a 17n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332524
PNG
(4-(5-(4-methoxyphenylamino)-1,3,4-oxadiazol-2-yl)b...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C16H12N4O2/c1-21-14-8-6-13(7-9-14)18-16-20-19-15(22-16)12-4-2-11(10-17)3-5-12/h2-9H,1H3,(H,18,20)
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n/an/a 18n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332519
PNG
(CHEMBL1630483 | N-(4-Methoxyphenyl)-5-(4-(trifluor...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H12F3N3O2/c1-23-13-8-6-12(7-9-13)20-15-22-21-14(24-15)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,20,22)
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n/an/a 53n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 96n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01647
BindingDB Entry DOI: 10.7270/Q2MW2MT4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332534
PNG
(2-(4-amino-5-(4-hydroxy-3-methoxyphenyl)pyrido[2,3...)
Show SMILES COc1cc(ccc1O)-c1cc(nc2ncnc(N)c12)-c1cc(C)cc(Cl)c1O
Show InChI InChI=1S/C21H17ClN4O3/c1-10-5-13(19(28)14(22)6-10)15-8-12(11-3-4-16(27)17(7-11)29-2)18-20(23)24-9-25-21(18)26-15/h3-9,27-28H,1-2H3,(H2,23,24,25,26)
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n/an/a 113n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332540
PNG
((Z)-5-(2,3-methylenedioxyphenyl)imidazolidine-2,4-...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cccc2OCOc12
Show InChI InChI=1S/C11H8N2O4/c14-10-7(12-11(15)13-10)4-6-2-1-3-8-9(6)17-5-16-8/h1-4H,5H2,(H2,12,13,14,15)/b7-4-
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n/an/a 138n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332503
PNG
(5-(4-nitrophenyl)-N-phenyl-1,3,4-oxadiazol-2-amine...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C14H10N4O3/c19-18(20)12-8-6-10(7-9-12)13-16-17-14(21-13)15-11-4-2-1-3-5-11/h1-9H,(H,15,17)
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n/an/a 209n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332532
PNG
((E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2...)
Show SMILES COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC
Show InChI InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+
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n/an/a 214n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332502
PNG
(4-(5-(phenylamino)-1,3,4-oxadiazol-2-yl)benzonitri...)
Show SMILES N#Cc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H10N4O/c16-10-11-6-8-12(9-7-11)14-18-19-15(20-14)17-13-4-2-1-3-5-13/h1-9H,(H,17,19)
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n/an/a 247n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332533
PNG
((Z)-3,3'-(4-((4-oxo-2-thioxothiazolidin-5-ylidene)...)
Show SMILES OC(=O)CCN(CCC(O)=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.14,c:19|
Show InChI InChI=1S/C16H16N2O5S2/c19-13(20)5-7-18(8-6-14(21)22)11-3-1-10(2-4-11)9-12-15(23)17-16(24)25-12/h1-4,9H,5-8H2,(H,19,20)(H,21,22)(H,17,23,24)
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n/an/a 263n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332522
PNG
(CHEMBL1630486 | N-(4-Methoxyphenyl)-5-(4-(methylsu...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C16H15N3O4S/c1-22-13-7-5-12(6-8-13)17-16-19-18-15(23-16)11-3-9-14(10-4-11)24(2,20)21/h3-10H,1-2H3,(H,17,19)
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n/an/a 314n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332537
PNG
(6-(4-fluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)py...)
Show SMILES COc1ccc(cc1)-c1cc([nH]c(=O)c1O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO3/c1-23-14-8-4-11(5-9-14)15-10-16(20-18(22)17(15)21)12-2-6-13(19)7-3-12/h2-10,21H,1H3,(H,20,22)
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n/an/a 325n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332500
PNG
(5-(4-(Methylsulfonyl)phenyl)-N-phenyl-1,3,4-oxadia...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H13N3O3S/c1-22(19,20)13-9-7-11(8-10-13)14-17-18-15(21-14)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
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n/an/a 439n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332518
PNG
(5-(4-Chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadi...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H12ClN3O2/c1-20-13-8-6-12(7-9-13)17-15-19-18-14(21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19)
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n/an/a 534n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332535
PNG
((Z)-2-methoxy-5-((4-oxo-2-thioxothiazolidin-5-ylid...)
Show SMILES COc1ccc(C=C2SC(O)=NC2=O)cc1S(O)(=O)=O |w:6.5,c:10|
Show InChI InChI=1S/C11H9NO6S2/c1-18-7-3-2-6(5-9(7)20(15,16)17)4-8-10(13)12-11(14)19-8/h2-5H,1H3,(H,12,13,14)(H,15,16,17)
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n/an/a 537n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332498
PNG
(5-(4-(Trifluoromethyl)phenyl)-N-phenyl-1,3,4-oxadi...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)11-8-6-10(7-9-11)13-20-21-14(22-13)19-12-4-2-1-3-5-12/h1-9H,(H,19,21)
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n/an/a 632n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332526
PNG
(CHEMBL1630489 | N,5-Bis(4-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C16H15N3O3/c1-20-13-7-3-11(4-8-13)15-18-19-16(22-15)17-12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H,17,19)
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n/an/a 662n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332511
PNG
(CHEMBL1630475 | N-(4-Chlorophenyl)-5-(4-(methylsul...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C15H12ClN3O3S/c1-23(20,21)13-8-2-10(3-9-13)14-18-19-15(22-14)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,19)
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n/an/a 671n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332527
PNG
(CHEMBL1630490 | N,5-bis(4-nitrophenyl)-1,3,4-oxadi...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H9N5O5/c20-18(21)11-5-1-9(2-6-11)13-16-17-14(24-13)15-10-3-7-12(8-4-10)19(22)23/h1-8H,(H,15,17)
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n/an/a 710n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332513
PNG
(4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-ylamino)be...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C15H9ClN4O/c16-12-5-7-13(8-6-12)18-15-20-19-14(21-15)11-3-1-10(9-17)2-4-11/h1-8H,(H,18,20)
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n/an/a 719n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332520
PNG
(CHEMBL1630484 | N-(4-Methoxyphenyl)-5-p-tolyl-1,3,...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H15N3O2/c1-11-3-5-12(6-4-11)15-18-19-16(21-15)17-13-7-9-14(20-2)10-8-13/h3-10H,1-2H3,(H,17,19)
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n/an/a 805n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332514
PNG
(CHEMBL1630478 | N-(4-Chlorophenyl)-5-(4-nitropheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C14H9ClN4O3/c15-10-3-5-11(6-4-10)16-14-18-17-13(22-14)9-1-7-12(8-2-9)19(20)21/h1-8H,(H,16,18)
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n/an/a 811n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332510
PNG
(CHEMBL1630474 | N-(4-Chlorophenyl)-5-(4-(methylmer...)
Show SMILES CSc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C15H12ClN3OS/c1-21-13-8-2-10(3-9-13)14-18-19-15(20-14)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,19)
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n/an/a 855n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332496
PNG
(CHEMBL1630460 | N,5-diphenyl-1,3,4-oxadiazol-2-ami...)
Show SMILES N(c1nnc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c1-3-7-11(8-4-1)13-16-17-14(18-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,17)
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n/an/a 980n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332515
PNG
(CHEMBL1630479 | N-(4-chlorophenyl)-5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C15H12ClN3O2/c1-20-13-8-2-10(3-9-13)14-18-19-15(21-14)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332512
PNG
(CHEMBL1630476 | N-(4-Chlorophenyl)-5-(4-(dimethyla...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H15ClN4O/c1-21(2)14-9-3-11(4-10-14)15-19-20-16(22-15)18-13-7-5-12(17)6-8-13/h3-10H,1-2H3,(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332509
PNG
(CHEMBL1630473 | N-(4-Chlorophenyl)-5-p-tolyl-1,3,4...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C15H12ClN3O/c1-10-2-4-11(5-3-10)14-18-19-15(20-14)17-13-8-6-12(16)7-9-13/h2-9H,1H3,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332508
PNG
(CHEMBL1630472 | N-(4-Chlorophenyl)-5-(4-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C15H9ClF3N3O/c16-11-5-7-12(8-6-11)20-14-22-21-13(23-14)9-1-3-10(4-2-9)15(17,18)19/h1-8H,(H,20,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332507
PNG
(CHEMBL1630471 | N,5-Bis(4-chlorophenyl)-1,3,4-oxad...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332506
PNG
(CHEMBL1630470 | N-(4-chlorophenyl)-5-phenyl-1,3,4-...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-11-6-8-12(9-7-11)16-14-18-17-13(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332505
PNG
(4-(5-(phenylamino)-1,3,4-oxadiazol-2-yl)phenol | C...)
Show SMILES Oc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C14H11N3O2/c18-12-8-6-10(7-9-12)13-16-17-14(19-13)15-11-4-2-1-3-5-11/h1-9,18H,(H,15,17)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332504
PNG
(5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-ami...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H13N3O2/c1-19-13-9-7-11(8-10-13)14-17-18-15(20-14)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332501
PNG
(5-(4-(dimethylamino)phenyl)-N-phenyl-1,3,4-oxadiaz...)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C16H16N4O/c1-20(2)14-10-8-12(9-11-14)15-18-19-16(21-15)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332523
PNG
(5-(4-(Dimethylamino)phenyl)-N-(4-methoxyphenyl)-1,...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C17H18N4O2/c1-21(2)14-8-4-12(5-9-14)16-19-20-17(23-16)18-13-6-10-15(22-3)11-7-13/h4-11H,1-3H3,(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332517
PNG
(CHEMBL1630481 | N-(4-methoxyphenyl)-5-phenyl-1,3,4...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O2/c1-19-13-9-7-12(8-10-13)16-15-18-17-14(20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332521
PNG
(CHEMBL1630485 | N-(4-Methoxyphenyl)-5-(4-(methylth...)
Show SMILES COc1ccc(Nc2nnc(o2)-c2ccc(SC)cc2)cc1
Show InChI InChI=1S/C16H15N3O2S/c1-20-13-7-5-12(6-8-13)17-16-19-18-15(21-16)11-3-9-14(22-2)10-4-11/h3-10H,1-2H3,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332516
PNG
(4-(5-(4-chlorophenylamino)-1,3,4-oxadiazol-2-yl)ph...)
Show SMILES Oc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C14H10ClN3O2/c15-10-3-5-11(6-4-10)16-14-18-17-13(20-14)9-1-7-12(19)8-2-9/h1-8,19H,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50185608
PNG
(CHEMBL3822800)
Show SMILES COc1cc(CCOC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C20H22O7/c1-24-16-10-13(4-6-15(16)21)8-9-27-19(22)7-5-14-11-17(25-2)20(23)18(12-14)26-3/h4-7,10-12,21,23H,8-9H2,1-3H3/b7-5+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus...


Eur J Med Chem 118: 299-315 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.043
BindingDB Entry DOI: 10.7270/Q2GT5Q35
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50332497
PNG
(5-(4-chlorophenyl)-N-phenyl-1,3,4-oxadiazol-2-amin...)
Show SMILES Clc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C14H10ClN3O/c15-11-8-6-10(7-9-11)13-17-18-14(19-13)16-12-4-2-1-3-5-12/h1-9H,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM38948
PNG
(5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazol-2-amin...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
Show InChI InChI=1S/C15H13N3O/c1-11-7-9-12(10-8-11)14-17-18-15(19-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method


J Med Chem 53: 8534-45 (2010)


Article DOI: 10.1021/jm100941j
BindingDB Entry DOI: 10.7270/Q2DB8230
More data for this
Ligand-Target Pair
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