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PubMed code 22202172

Compile data set for download or QSAR
Found 17 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))
BDBM50362508
PNG
(CHEMBL1940976)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C20H19FN6O2/c1-11-10-29-20-17(26-7-6-25-13-4-2-3-5-24-13)15(21)16(23)14-18(20)27(11)9-12(8-22)19(14)28/h2-5,9,11,26H,6-7,10,23H2,1H3,(H,24,25)/t11-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362522
PNG
(CHEMBL1940990)
Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C21H20FN5O2/c1-12-11-29-21-18(26-8-4-6-14-5-2-3-7-25-14)16(22)17(24)15-19(21)27(12)10-13(9-23)20(15)28/h2-3,5,7,10,12,26H,4,6,8,11,24H2,1H3/t12-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362513
PNG
(CHEMBL1940981)
Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C19H19FN6O2/c1-11-10-28-19-16(23-4-2-6-25-7-3-5-24-25)14(20)15(22)13-17(19)26(11)9-12(8-21)18(13)27/h3,5,7,9,11,23H,2,4,6,10,22H2,1H3/t11-/m0/s1
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n/an/a 0.860n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362518
PNG
(CHEMBL1940986)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C19H19FN6O2/c1-11-9-28-19-16(24-3-2-5-25-6-4-23-10-25)14(20)15(22)13-17(19)26(11)8-12(7-21)18(13)27/h4,6,8,10-11,24H,2-3,5,9,22H2,1H3/t11-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362511
PNG
(CHEMBL1940979)
Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C22H21FN4O2/c1-13-12-29-22-19(26-9-5-8-14-6-3-2-4-7-14)17(23)18(25)16-20(22)27(13)11-15(10-24)21(16)28/h2-4,6-7,11,13,26H,5,8-9,12,25H2,1H3/t13-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362521
PNG
(CHEMBL1940989)
Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O
Show InChI InChI=1S/C21H21FN8O2/c1-11-10-32-20-17(25-8-4-6-12-5-2-3-7-24-12)15(22)16(23)14-18(20)30(11)9-13(19(14)31)21-26-28-29-27-21/h2-3,5,7,9,11,25H,4,6,8,10,23H2,1H3,(H,26,27,28,29)/t11-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362519
PNG
(CHEMBL1940987)
Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C21H21FN4O4/c1-11-10-30-20-17(25-8-4-6-12-5-2-3-7-24-12)15(22)16(23)14-18(20)26(11)9-13(19(14)27)21(28)29/h2-3,5,7,9,11,25H,4,6,8,10,23H2,1H3,(H,28,29)/t11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362512
PNG
(CHEMBL1940980)
Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C19H20FN5O4/c1-10-9-29-18-15(22-4-2-6-24-7-3-5-23-24)13(20)14(21)12-16(18)25(10)8-11(17(12)26)19(27)28/h3,5,7-8,10,22H,2,4,6,9,21H2,1H3,(H,27,28)/t10-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362517
PNG
(CHEMBL1940985)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O
Show InChI InChI=1S/C19H20FN9O2/c1-10-8-31-18-15(23-3-2-5-28-6-4-22-9-28)13(20)14(21)12-16(18)29(10)7-11(17(12)30)19-24-26-27-25-19/h4,6-7,9-10,23H,2-3,5,8,21H2,1H3,(H,24,25,26,27)/t10-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362507
PNG
(CHEMBL1940900)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O
Show InChI InChI=1S/C20H21FN6O3/c1-10-9-30-19-16(26-7-6-25-12-4-2-3-5-24-12)14(21)15(22)13-17(19)27(10)8-11(18(13)28)20(23)29/h2-5,8,10,26H,6-7,9,22H2,1H3,(H2,23,29)(H,24,25)/t10-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362509
PNG
(CHEMBL1940977)
Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C22H22FN3O4/c1-12-11-30-21-18(25-9-5-8-13-6-3-2-4-7-13)16(23)17(24)15-19(21)26(12)10-14(20(15)27)22(28)29/h2-4,6-7,10,12,25H,5,8-9,11,24H2,1H3,(H,28,29)/t12-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50354772
PNG
(CHEMBL1834323)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C20H20FN5O4/c1-10-9-30-19-16(25-7-6-24-12-4-2-3-5-23-12)14(21)15(22)13-17(19)26(10)8-11(18(13)27)20(28)29/h2-5,8,10,25H,6-7,9,22H2,1H3,(H,23,24)(H,28,29)/t10-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362510
PNG
(CHEMBL1940978)
Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O
Show InChI InChI=1S/C22H23FN4O3/c1-12-11-30-21-18(26-9-5-8-13-6-3-2-4-7-13)16(23)17(24)15-19(21)27(12)10-14(20(15)28)22(25)29/h2-4,6-7,10,12,26H,5,8-9,11,24H2,1H3,(H2,25,29)/t12-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362520
PNG
(CHEMBL1940988)
Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O
Show InChI InChI=1S/C21H23FN6O3/c1-11-10-31-20-17(26-8-4-6-12-5-2-3-7-25-12)15(22)16(23)14-18(20)28(11)9-13(19(14)29)21(24)27-30/h2-3,5,7,9,11,26,30H,4,6,8,10,23H2,1H3,(H2,24,27)/t11-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362516
PNG
(CHEMBL1940984)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O
Show InChI InChI=1S/C19H22FN7O3/c1-10-8-30-18-15(24-3-2-5-26-6-4-23-9-26)13(20)14(21)12-16(18)27(10)7-11(17(12)28)19(22)25-29/h4,6-7,9-10,24,29H,2-3,5,8,21H2,1H3,(H2,22,25)/t10-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362514
PNG
(CHEMBL1940982)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C19H20FN5O4/c1-10-8-29-18-15(23-3-2-5-24-6-4-22-9-24)13(20)14(21)12-16(18)25(10)7-11(17(12)26)19(27)28/h4,6-7,9-10,23H,2-3,5,8,21H2,1H3,(H,27,28)/t10-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50362515
PNG
(CHEMBL1940983)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O
Show InChI InChI=1S/C19H21FN6O3/c1-10-8-29-18-15(24-3-2-5-25-6-4-23-9-25)13(20)14(21)12-16(18)26(10)7-11(17(12)27)19(22)28/h4,6-7,9-10,24H,2-3,5,8,21H2,1H3,(H2,22,28)/t10-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%