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Compile Data Set for Download or QSAR

Found 14 hits from Central University   
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 synthase kinase-3


(Homo sapiens (human))
BDBM7398
PNG
((2 Z)-6 -Bromoindirubin | 6 -bromoindirubin | 6-br...)
Show SMILES Brc1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)18-14(15(10)20)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18H,(H,19,21)/b14-13-
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n/an/a 4n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 4n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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n/an/a 5n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7463
PNG
(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine |...)
Show SMILES Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C17H13N5/c18-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)19-21-17(14)22-20-16/h1-10H,(H3,18,20,21,22)
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n/an/a 250n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50135214
PNG
(CHEMBL3747661)
Show SMILES COc1ccc(CNC(=O)Nc2nc(C)c(s2)C(C)=O)cc1
Show InChI InChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20)
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n/an/a 400n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 (unknown origin) in presence of ATP


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7876
PNG
(2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...)
Show SMILES BrCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
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n/an/a 500n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7877
PNG
(2-bromo-1-(4-chlorophenyl)ethan-1-one | Halomethyl...)
Show SMILES Clc1ccc(cc1)C(=O)CBr
Show InChI InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50135211
PNG
(CHEMBL3747426)
Show SMILES Br.Br.C(\N=C1/NC(N(S1)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H19N3S.2BrH/c1-4-10-17(11-5-1)16-22-21-23-20(18-12-6-2-7-13-18)24(25-21)19-14-8-3-9-15-19;;/h1-15,20H,16H2,(H,22,23);2*1H
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n/an/a 1.28E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50119691
PNG
(2-Bromo-1-(4-nitro-phenyl)-ethanone | CHEMBL106072)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)CBr
Show InChI InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7874
PNG
(2-chloro-1-(4-chlorophenyl)ethan-1-one | Halomethy...)
Show SMILES ClCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7875
PNG
(2-bromo-1-phenylethan-1-one | CHEMBL102953 | Halom...)
Show SMILES BrCC(=O)c1ccccc1
Show InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50135212
PNG
(CHEMBL3746095)
Show SMILES Br.CCOC(=O)C\N=C1/NC(N(S1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S.BrH/c1-2-23-16(22)13-19-18-20-17(14-9-5-3-6-10-14)21(24-18)15-11-7-4-8-12-15;/h3-12,17H,2,13H2,1H3,(H,19,20);1H
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n/an/a 7.05E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7873
PNG
(2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...)
Show SMILES ClCC(=O)c1ccccc1
Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50134240
PNG
(CHEMBL3745772)
Show SMILES BrCC(=O)c1ccc(cc1)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H11BrO3/c18-9-14(19)10-5-7-11(8-6-10)15-16(20)12-3-1-2-4-13(12)17(15)21/h1-8,15H,9H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence o...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair