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PubMed code 18502127

Compile data set for download or QSAR
Found 77 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))
BDBM50377234
PNG
(CHEMBL402902)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377234
PNG
(CHEMBL402902)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 4.5n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377237
PNG
(CHEMBL255735)
Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-
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n/an/a 7n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377235
PNG
(CHEMBL402541)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)
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n/an/a 9n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377237
PNG
(CHEMBL255735)
Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-
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n/an/a 13n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377235
PNG
(CHEMBL402541)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)
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n/an/a 13n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377232
PNG
(CHEMBL253956)
Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)
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n/an/a 23n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377232
PNG
(CHEMBL253956)
Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)
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n/an/a 23n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
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n/an/a 24n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377231
PNG
(CHEMBL253748)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 26n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377241
PNG
(CHEMBL402932)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377231
PNG
(CHEMBL253748)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)
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n/an/a 34n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377252
PNG
(CHEMBL404175)
Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)
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n/an/a 38n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377248
PNG
(CHEMBL255905)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)|
Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?
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n/an/a 41n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377241
PNG
(CHEMBL402932)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)
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n/an/a 49n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377253
PNG
(CHEMBL257575)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26|
Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377248
PNG
(CHEMBL255905)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)|
Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?
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n/an/a 61n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377253
PNG
(CHEMBL257575)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26|
Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)
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n/an/a 66n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
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n/an/a 74n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377230
PNG
(CHEMBL257577)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)
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n/an/a 75n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377230
PNG
(CHEMBL257577)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
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n/an/a 85n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377247
PNG
(CHEMBL403385)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)|
Show InChI InChI=1S/C20H29BrN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?
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n/an/a 91n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
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n/an/a 92n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377251
PNG
(CHEMBL254350)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28|
Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)
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n/an/a 96n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377252
PNG
(CHEMBL404175)
Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)
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n/an/a 105n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377237
PNG
(CHEMBL255735)
Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-
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n/an/a 112n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377238
PNG
(CHEMBL255948)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(-c3ccccc3)c2n1 |wU:4.7,wD:1.0,(22.09,-29.69,;22.09,-28.15,;23.43,-27.38,;23.43,-25.84,;22.1,-25.08,;20.76,-25.84,;20.76,-27.38,;22.09,-23.54,;20.76,-22.77,;20.75,-21.21,;19.41,-20.45,;18.08,-21.23,;16.61,-20.76,;15.71,-22.01,;16.62,-23.25,;16.15,-24.71,;14.64,-25.03,;14.17,-26.5,;15.21,-27.64,;16.72,-27.31,;17.19,-25.84,;18.09,-22.77,;19.42,-23.54,)|
Show InChI InChI=1S/C16H18N6O/c23-13-8-6-11(7-9-13)18-16-17-10-14-15(19-16)22(21-20-14)12-4-2-1-3-5-12/h1-5,10-11,13,23H,6-9H2,(H,17,18,19)/t11-,13-
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n/an/a 123n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377250
PNG
(CHEMBL404174)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)|
Show InChI InChI=1S/C20H29N5O4/c26-15-3-1-14(2-4-15)22-18-21-10-16(25(28)29)17(23-18)24-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,21,22,23,24)/t12?,13?,14-,15-,19?,20?
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n/an/a 123n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377247
PNG
(CHEMBL403385)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)|
Show InChI InChI=1S/C20H29BrN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?
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n/an/a 125n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377235
PNG
(CHEMBL402541)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)
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n/an/a 128n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377246
PNG
(CHEMBL257370)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(19.93,-27.3,;19.92,-25.76,;21.26,-24.98,;21.25,-23.45,;19.92,-22.69,;18.59,-23.46,;18.59,-24.99,;19.92,-21.15,;18.59,-20.38,;18.58,-18.83,;17.24,-18.06,;15.91,-18.84,;14.58,-18.07,;15.91,-20.38,;14.58,-21.15,;14.57,-22.69,;13.22,-23.17,;13.23,-24.65,;12.03,-25.93,;13.53,-25.51,;14.94,-26.07,;15.95,-24.79,;17.49,-24.73,;14.56,-25.14,;15.97,-23.27,;13.53,-23.92,;17.24,-21.15,)|
Show InChI InChI=1S/C20H29ClN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?
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n/an/a 133n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377243
PNG
(CHEMBL257188)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H13N5O4/c23-16(24)11-6-8-13(9-7-11)20-17-18-10-14(22(25)26)15(21-17)19-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,18,19,20,21)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377234
PNG
(CHEMBL402902)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377251
PNG
(CHEMBL254350)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28|
Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377239
PNG
(CHEMBL256517)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(Nc2ccccc2)n1)[N+]([O-])=O |wU:4.7,wD:1.0,(10.05,-30.85,;10.05,-29.31,;11.38,-28.53,;11.38,-26.99,;10.05,-26.23,;8.71,-27,;8.71,-28.54,;10.05,-24.69,;8.71,-23.92,;8.7,-22.37,;7.36,-21.61,;6.04,-22.38,;6.04,-23.92,;4.7,-24.69,;4.7,-26.23,;3.36,-26.99,;3.36,-28.53,;4.69,-29.31,;6.03,-28.53,;6.03,-26.99,;7.37,-24.69,;4.7,-21.61,;4.7,-20.07,;3.37,-22.38,)|
Show InChI InChI=1S/C16H19N5O3/c22-13-8-6-12(7-9-13)19-16-17-10-14(21(23)24)15(20-16)18-11-4-2-1-3-5-11/h1-5,10,12-13,22H,6-9H2,(H2,17,18,19,20)/t12-,13-
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377258
PNG
(CHEMBL253740)
Show SMILES OC(=O)c1ccc(Nc2ncc3c(Cl)nn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H12ClN5O2/c19-15-14-10-20-18(21-12-8-6-11(7-9-12)17(25)26)22-16(14)24(23-15)13-4-2-1-3-5-13/h1-10H,(H,25,26)(H,20,21,22)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377250
PNG
(CHEMBL404174)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)|
Show InChI InChI=1S/C20H29N5O4/c26-15-3-1-14(2-4-15)22-18-21-10-16(25(28)29)17(23-18)24-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,21,22,23,24)/t12?,13?,14-,15-,19?,20?
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377233
PNG
(CHEMBL404242)
Show SMILES COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O3/c1-27-17(26)12-28-15-9-7-13(8-10-15)21-19-20-11-16-18(22-19)25(24-23-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)
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n/an/a 204n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377246
PNG
(CHEMBL257370)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(19.93,-27.3,;19.92,-25.76,;21.26,-24.98,;21.25,-23.45,;19.92,-22.69,;18.59,-23.46,;18.59,-24.99,;19.92,-21.15,;18.59,-20.38,;18.58,-18.83,;17.24,-18.06,;15.91,-18.84,;14.58,-18.07,;15.91,-20.38,;14.58,-21.15,;14.57,-22.69,;13.22,-23.17,;13.23,-24.65,;12.03,-25.93,;13.53,-25.51,;14.94,-26.07,;15.95,-24.79,;17.49,-24.73,;14.56,-25.14,;15.97,-23.27,;13.53,-23.92,;17.24,-21.15,)|
Show InChI InChI=1S/C20H29ClN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377243
PNG
(CHEMBL257188)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H13N5O4/c23-16(24)11-6-8-13(9-7-11)20-17-18-10-14(22(25)26)15(21-17)19-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,18,19,20,21)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377238
PNG
(CHEMBL255948)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(-c3ccccc3)c2n1 |wU:4.7,wD:1.0,(22.09,-29.69,;22.09,-28.15,;23.43,-27.38,;23.43,-25.84,;22.1,-25.08,;20.76,-25.84,;20.76,-27.38,;22.09,-23.54,;20.76,-22.77,;20.75,-21.21,;19.41,-20.45,;18.08,-21.23,;16.61,-20.76,;15.71,-22.01,;16.62,-23.25,;16.15,-24.71,;14.64,-25.03,;14.17,-26.5,;15.21,-27.64,;16.72,-27.31,;17.19,-25.84,;18.09,-22.77,;19.42,-23.54,)|
Show InChI InChI=1S/C16H18N6O/c23-13-8-6-11(7-9-13)18-16-17-10-14-15(19-16)22(21-20-14)12-4-2-1-3-5-12/h1-5,10-11,13,23H,6-9H2,(H,17,18,19)/t11-,13-
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377239
PNG
(CHEMBL256517)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(Nc2ccccc2)n1)[N+]([O-])=O |wU:4.7,wD:1.0,(10.05,-30.85,;10.05,-29.31,;11.38,-28.53,;11.38,-26.99,;10.05,-26.23,;8.71,-27,;8.71,-28.54,;10.05,-24.69,;8.71,-23.92,;8.7,-22.37,;7.36,-21.61,;6.04,-22.38,;6.04,-23.92,;4.7,-24.69,;4.7,-26.23,;3.36,-26.99,;3.36,-28.53,;4.69,-29.31,;6.03,-28.53,;6.03,-26.99,;7.37,-24.69,;4.7,-21.61,;4.7,-20.07,;3.37,-22.38,)|
Show InChI InChI=1S/C16H19N5O3/c22-13-8-6-12(7-9-13)19-16-17-10-14(21(23)24)15(20-16)18-11-4-2-1-3-5-11/h1-5,10,12-13,22H,6-9H2,(H2,17,18,19,20)/t12-,13-
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377241
PNG
(CHEMBL402932)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377242
PNG
(CHEMBL256518)
Show SMILES N(c1ccccc1)c1ncc2nnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H12N6/c1-3-7-12(8-4-1)18-16-17-11-14-15(19-16)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377243
PNG
(CHEMBL257188)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H13N5O4/c23-16(24)11-6-8-13(9-7-11)20-17-18-10-14(22(25)26)15(21-17)19-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,18,19,20,21)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377258
PNG
(CHEMBL253740)
Show SMILES OC(=O)c1ccc(Nc2ncc3c(Cl)nn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H12ClN5O2/c19-15-14-10-20-18(21-12-8-6-11(7-9-12)17(25)26)22-16(14)24(23-15)13-4-2-1-3-5-13/h1-10H,(H,25,26)(H,20,21,22)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
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n/an/a 375n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377249
PNG
(CHEMBL254155)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(c2n1)C12CC3CC(CC(O)(C3)C1)C2 |w:19.28,21.24,wU:4.7,wD:1.0,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26,(27.96,-16.98,;27.96,-15.44,;29.3,-14.66,;29.3,-13.13,;27.97,-12.36,;26.63,-13.13,;26.63,-14.67,;27.97,-10.82,;26.64,-10.05,;26.64,-8.5,;25.3,-7.73,;23.96,-8.5,;22.5,-8.03,;21.59,-9.28,;22.5,-10.52,;23.97,-10.04,;25.29,-10.82,;22.03,-11.99,;20.68,-12.46,;20.69,-13.95,;19.49,-15.23,;20.99,-14.81,;22.4,-15.37,;23.41,-14.09,;24.95,-14.03,;22.02,-14.44,;23.43,-12.56,;20.99,-13.22,)|
Show InChI InChI=1S/C20H28N6O2/c27-15-3-1-14(2-4-15)22-18-21-10-16-17(23-18)26(25-24-16)19-6-12-5-13(7-19)9-20(28,8-12)11-19/h10,12-15,27-28H,1-9,11H2,(H,21,22,23)/t12?,13?,14-,15-,19?,20?
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n/an/a 444n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377233
PNG
(CHEMBL404242)
Show SMILES COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O3/c1-27-17(26)12-28-15-9-7-13(8-10-15)21-19-20-11-16-18(22-19)25(24-23-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)
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n/an/a 477n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377255
PNG
(CHEMBL256306)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)14-10-22-17(24-13-8-6-11(7-9-13)16(26)27)25-15(14)23-12-4-2-1-3-5-12/h1-10H,(H,26,27)(H2,22,23,24,25)
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n/an/a 490n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377256
PNG
(CHEMBL256987)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H17N5O2/c28-21(29)16-6-8-18(9-7-16)26-22-24-14-19(15-10-12-23-13-11-15)20(27-22)25-17-4-2-1-3-5-17/h1-14H,(H,28,29)(H2,24,25,26,27)
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n/an/a 540n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377242
PNG
(CHEMBL256518)
Show SMILES N(c1ccccc1)c1ncc2nnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H12N6/c1-3-7-12(8-4-1)18-16-17-11-14-15(19-16)22(21-20-14)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
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n/an/a 628n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377249
PNG
(CHEMBL254155)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(c2n1)C12CC3CC(CC(O)(C3)C1)C2 |w:19.28,21.24,wU:4.7,wD:1.0,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26,(27.96,-16.98,;27.96,-15.44,;29.3,-14.66,;29.3,-13.13,;27.97,-12.36,;26.63,-13.13,;26.63,-14.67,;27.97,-10.82,;26.64,-10.05,;26.64,-8.5,;25.3,-7.73,;23.96,-8.5,;22.5,-8.03,;21.59,-9.28,;22.5,-10.52,;23.97,-10.04,;25.29,-10.82,;22.03,-11.99,;20.68,-12.46,;20.69,-13.95,;19.49,-15.23,;20.99,-14.81,;22.4,-15.37,;23.41,-14.09,;24.95,-14.03,;22.02,-14.44,;23.43,-12.56,;20.99,-13.22,)|
Show InChI InChI=1S/C20H28N6O2/c27-15-3-1-14(2-4-15)22-18-21-10-16-17(23-18)26(25-24-16)19-6-12-5-13(7-19)9-20(28,8-12)11-19/h10,12-15,27-28H,1-9,11H2,(H,21,22,23)/t12?,13?,14-,15-,19?,20?
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n/an/a 744n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377255
PNG
(CHEMBL256306)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)14-10-22-17(24-13-8-6-11(7-9-13)16(26)27)25-15(14)23-12-4-2-1-3-5-12/h1-10H,(H,26,27)(H2,22,23,24,25)
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n/an/a 750n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377259
PNG
(CHEMBL253533)
Show SMILES COc1nn(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc12
Show InChI InChI=1S/C19H15N5O3/c1-27-17-15-11-20-19(21-13-9-7-12(8-10-13)18(25)26)22-16(15)24(23-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,25,26)(H,20,21,22)
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n/an/a 760n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377230
PNG
(CHEMBL257577)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)
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n/an/a 910n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377260
PNG
(CHEMBL401918)
Show SMILES Cn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc2c1=O
Show InChI InChI=1S/C19H15N5O3/c1-23-17(25)15-11-20-19(21-13-9-7-12(8-10-13)18(26)27)22-16(15)24(23)14-5-3-2-4-6-14/h2-11H,1H3,(H,26,27)(H,20,21,22)
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n/an/a 960n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377260
PNG
(CHEMBL401918)
Show SMILES Cn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc2c1=O
Show InChI InChI=1S/C19H15N5O3/c1-23-17(25)15-11-20-19(21-13-9-7-12(8-10-13)18(26)27)22-16(15)24(23)14-5-3-2-4-6-14/h2-11H,1H3,(H,26,27)(H,20,21,22)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377261
PNG
(CHEMBL428596)
Show SMILES OC(=O)c1ccc(Nc2ncc(-c3c[nH]nn3)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C19H15N7O2/c27-18(28)12-6-8-14(9-7-12)23-19-20-10-15(16-11-21-26-25-16)17(24-19)22-13-4-2-1-3-5-13/h1-11H,(H,27,28)(H,21,25,26)(H2,20,22,23,24)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377245
PNG
(CHEMBL254587)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(F)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(32.75,-27.32,;32.74,-25.78,;34.08,-25,;34.07,-23.47,;32.74,-22.71,;31.41,-23.47,;31.41,-25.01,;32.74,-21.17,;31.41,-20.4,;31.4,-18.84,;30.06,-18.08,;28.73,-18.85,;27.4,-18.08,;28.73,-20.4,;27.4,-21.17,;27.39,-22.71,;26.04,-23.18,;26.05,-24.67,;24.85,-25.95,;26.35,-25.53,;27.76,-26.09,;28.77,-24.81,;30.31,-24.75,;27.37,-25.16,;28.79,-23.28,;26.35,-23.94,;30.06,-21.17,)|
Show InChI InChI=1S/C20H29FN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377267
PNG
(CHEMBL256139)
Show SMILES Cn1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C18H15N5O/c1-22-15-12-19-17(20-13-8-4-2-5-9-13)21-16(15)23(18(22)24)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377256
PNG
(CHEMBL256987)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H17N5O2/c28-21(29)16-6-8-18(9-7-16)26-22-24-14-19(15-10-12-23-13-11-15)20(27-22)25-17-4-2-1-3-5-17/h1-14H,(H,28,29)(H2,24,25,26,27)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377259
PNG
(CHEMBL253533)
Show SMILES COc1nn(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc12
Show InChI InChI=1S/C19H15N5O3/c1-27-17-15-11-20-19(21-13-9-7-12(8-10-13)18(25)26)22-16(15)24(23-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,25,26)(H,20,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377266
PNG
(CHEMBL404689)
Show SMILES CC(C)(C)n1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)26-17-14-22-19(23-15-10-6-4-7-11-15)24-18(17)25(20(26)27)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,22,23,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377244
PNG
(CHEMBL256366)
Show SMILES [O-][N+](=O)c1cnc(Nc2ccccc2)nc1Nc1ccccc1
Show InChI InChI=1S/C16H13N5O2/c22-21(23)14-11-17-16(19-13-9-5-2-6-10-13)20-15(14)18-12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377261
PNG
(CHEMBL428596)
Show SMILES OC(=O)c1ccc(Nc2ncc(-c3c[nH]nn3)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C19H15N7O2/c27-18(28)12-6-8-14(9-7-12)23-19-20-10-15(16-11-21-26-25-16)17(24-19)22-13-4-2-1-3-5-13/h1-11H,(H,27,28)(H,21,25,26)(H2,20,22,23,24)
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n/an/a 2.85E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377264
PNG
(CHEMBL403948)
Show SMILES CC(C)n1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C20H19N5O/c1-14(2)24-17-13-21-19(22-15-9-5-3-6-10-15)23-18(17)25(20(24)26)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377257
PNG
(CHEMBL404687)
Show SMILES OC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C17H13BrN4O2/c18-14-10-19-17(21-13-8-6-11(7-9-13)16(23)24)22-15(14)20-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377265
PNG
(CHEMBL403856)
Show SMILES OC(=O)c1ccc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H15N5O3/c25-16-11-24(14-4-2-1-3-5-14)17-15(22-16)10-20-19(23-17)21-13-8-6-12(7-9-13)18(26)27/h1-10H,11H2,(H,22,25)(H,26,27)(H,20,21,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377254
PNG
(CHEMBL256307)
Show SMILES OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C17H13FN4O2/c18-14-10-19-17(21-13-8-6-11(7-9-13)16(23)24)22-15(14)20-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377262
PNG
(CHEMBL257562)
Show SMILES OC(=O)c1ccc(Nc2ncc3[nH]c(=O)n(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H13N5O3/c24-16(25)11-6-8-12(9-7-11)20-17-19-10-14-15(22-17)23(18(26)21-14)13-4-2-1-3-5-13/h1-10H,(H,21,26)(H,24,25)(H,19,20,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377254
PNG
(CHEMBL256307)
Show SMILES OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C17H13FN4O2/c18-14-10-19-17(21-13-8-6-11(7-9-13)16(23)24)22-15(14)20-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,19,20,21,22)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50377265
PNG
(CHEMBL403856)
Show SMILES OC(=O)c1ccc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H15N5O3/c25-16-11-24(14-4-2-1-3-5-14)17-15(22-16)10-20-19(23-17)21-13-8-6-12(7-9-13)18(26)27/h1-10H,11H2,(H,22,25)(H,26,27)(H,20,21,23)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377232
PNG
(CHEMBL253956)
Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377263
PNG
(CHEMBL256346)
Show SMILES CCn1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H17N5O/c1-2-23-16-13-20-18(21-14-9-5-3-6-10-14)22-17(16)24(19(23)25)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%