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PubMed code 24560539

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 beta


(Homo sapiens (Human))
BDBM50496456
PNG
(CHEMBL3125370)
Show SMILES O\C=c1/c2ccccc2[nH]/c/1=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C17H11BrN2O2/c18-9-5-6-11-14(7-9)20-17(22)15(11)16-12(8-21)10-3-1-2-4-13(10)19-16/h1-8,19,21H,(H,20,22)/b12-8+,16-15-
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8296
PNG
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) expressed in sf9 cells after 30 mins by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50371955
PNG
(CHEMBL272629)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2cnccn2)c2cccnc12 |t:7|
Show InChI InChI=1S/C18H15N5O3/c24-8-2-7-23-10-12(11-3-1-4-21-16(11)23)14-15(18(26)22-17(14)25)13-9-19-5-6-20-13/h1,3-6,9-10,24H,2,7-8H2,(H,22,25,26)
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PubMed
n/an/a 25n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8552
PNG
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)
Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7377
PNG
(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)
Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
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Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Bioorg Med Chem Lett 24: 1532-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.078
BindingDB Entry DOI: 10.7270/Q2S46W05
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%