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USPatent US9611249

Compile data set for download or QSAR
Found 35 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))		BDBM314399
PNG
(US9611249, Compound 30 | {4-[({[5-(5-methoxypyridi...)
Show SMILES COc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C22H25N5O4/c1-31-17-8-16(11-23-12-17)15-2-3-19-18(9-15)21(26-25-19)22(30)24-10-14-4-6-27(7-5-14)13-20(28)29/h2-3,8-9,11-12,14H,4-7,10,13H2,1H3,(H,24,30)(H,25,26)(H,28,29)
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US Patent
n/an/a 20n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50134187
PNG
(CHEMBL3735506 | US11472795, Example C | US9611249,...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314382
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(5...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cncc(OC)c2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-10-9-28-7-5-16(6-8-28)13-25-23(29)22-20-12-17(3-4-21(20)26-27-22)18-11-19(31-2)15-24-14-18/h3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314398
PNG
(US9611249, Compound 29 | {4-[({[5-(2,3-difluorophe...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C22H22F2N4O3/c23-17-3-1-2-15(20(17)24)14-4-5-18-16(10-14)21(27-26-18)22(31)25-11-13-6-8-28(9-7-13)12-19(29)30/h1-5,10,13H,6-9,11-12H2,(H,25,31)(H,26,27)(H,29,30)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314371
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(p...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-12-11-27-9-6-16(7-10-27)14-24-22(28)21-19-13-17(4-5-20(19)25-26-21)18-3-2-8-23-15-18/h2-5,8,13,15-16H,6-7,9-12,14H2,1H3,(H,24,28)(H,25,26)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314387
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(6...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(OC)nc2)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-12-11-28-9-7-16(8-10-28)14-25-23(29)22-19-13-17(3-5-20(19)26-27-22)18-4-6-21(31-2)24-15-18/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314374
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(4...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cnccc2OC)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-12-11-28-9-6-16(7-10-28)14-25-23(29)22-18-13-17(3-4-20(18)26-27-22)19-15-24-8-5-21(19)31-2/h3-5,8,13,15-16H,6-7,9-12,14H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314378
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(6...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(C)nc2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-16-3-4-19(15-24-16)18-5-6-21-20(13-18)22(27-26-21)23(29)25-14-17-7-9-28(10-8-17)11-12-30-2/h3-6,13,15,17H,7-12,14H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314377
PNG
(5-(2-fluorophenyl)-N-{[1-(2- methoxyethyl)piperidi...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2F)CC1
Show InChI InChI=1S/C23H27FN4O2/c1-30-13-12-28-10-8-16(9-11-28)15-25-23(29)22-19-14-17(6-7-21(19)26-27-22)18-4-2-3-5-20(18)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314396
PNG
(US9611249, Compound 27 | {4-[({[5-(2,3-dichlorophe...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C22H22Cl2N4O3/c23-17-3-1-2-15(20(17)24)14-4-5-18-16(10-14)21(27-26-18)22(31)25-11-13-6-8-28(9-7-13)12-19(29)30/h1-5,10,13H,6-9,11-12H2,(H,25,31)(H,26,27)(H,29,30)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314397
PNG
(US9611249, Compound 28 | {4-[({[5-(3-fluorophenyl)...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2)CC1
Show InChI InChI=1S/C22H23FN4O3/c23-17-3-1-2-15(10-17)16-4-5-19-18(11-16)21(26-25-19)22(30)24-12-14-6-8-27(9-7-14)13-20(28)29/h1-5,10-11,14H,6-9,12-13H2,(H,24,30)(H,25,26)(H,28,29)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314381
PNG
(N-{[1-(2-methoxyethyl)pipendin-4- yl]methyl}-5-phe...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C23H28N4O2/c1-29-14-13-27-11-9-17(10-12-27)16-24-23(28)22-20-15-19(7-8-21(20)25-26-22)18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3,(H,24,28)(H,25,26)
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n/an/a 200n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314391
PNG
(US9611249, Compound 25 | US9611249, Compound 25b |...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cncnc2)CC1
Show InChI InChI=1S/C20H22N6O3/c27-18(28)11-26-5-3-13(4-6-26)8-23-20(29)19-16-7-14(1-2-17(16)24-25-19)15-9-21-12-22-10-15/h1-2,7,9-10,12-13H,3-6,8,11H2,(H,23,29)(H,24,25)(H,27,28)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314391
PNG
(US9611249, Compound 25 | US9611249, Compound 25b |...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cncnc2)CC1
Show InChI InChI=1S/C20H22N6O3/c27-18(28)11-26-5-3-13(4-6-26)8-23-20(29)19-16-7-14(1-2-17(16)24-25-19)15-9-21-12-22-10-15/h1-2,7,9-10,12-13H,3-6,8,11H2,(H,23,29)(H,24,25)(H,27,28)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314384
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(4...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C24H30N4O3/c1-30-14-13-28-11-9-17(10-12-28)16-25-24(29)23-21-15-19(5-8-22(21)26-27-23)18-3-6-20(31-2)7-4-18/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314385
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(4...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-17-3-5-19(6-4-17)20-7-8-22-21(15-20)23(27-26-22)24(29)25-16-18-9-11-28(12-10-18)13-14-30-2/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314388
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(2...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2C)CC1
Show InChI InChI=1S/C24H30N4O2/c1-17-5-3-4-6-20(17)19-7-8-22-21(15-19)23(27-26-22)24(29)25-16-18-9-11-28(12-10-18)13-14-30-2/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,29)(H,26,27)
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AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314324
PNG
(US9611249, Compound 1 | [4-({[(5-methoxy-1H-indazo...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C17H22N4O4/c1-25-12-2-3-14-13(8-12)16(20-19-14)17(24)18-9-11-4-6-21(7-5-11)10-15(22)23/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)(H,19,20)(H,22,23)
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n/an/a 670n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314370
PNG
(US9611249, Compound 3 | [4-({[(5-methoxy-1H-indazo...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC(O)=O)CC3)c2c1
Show InChI InChI=1S/C18H24N4O4/c1-26-13-2-3-15-14(10-13)17(21-20-15)18(25)19-11-12-4-7-22(8-5-12)9-6-16(23)24/h2-3,10,12H,4-9,11H2,1H3,(H,19,25)(H,20,21)(H,23,24)
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n/an/a 690n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314407
PNG
(N-[(1-{3-[(2E)-but-2-enoylamino]propyl} piperidin-...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)\C=C\C)CC3)c2c1
Show InChI InChI=1S/C22H31N5O3/c1-3-5-20(28)23-10-4-11-27-12-8-16(9-13-27)15-24-22(29)21-18-14-17(30-2)6-7-19(18)25-26-21/h3,5-7,14,16H,4,8-13,15H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)/b5-3+
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n/an/a 780n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314368
PNG
(5-methoxy-N-{[1-(2-methoxyethyl)- piperidin-4-yl]m...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C18H26N4O3/c1-24-10-9-22-7-5-13(6-8-22)12-19-18(23)17-15-11-14(25-2)3-4-16(15)20-21-17/h3-4,11,13H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)
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n/an/a 870n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314409
PNG
(N-({1-[3-(but-2-ynoylamino)propyl] piperidin-4-yl}...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)C#CC)CC3)c2c1
Show InChI InChI=1S/C22H29N5O3/c1-3-5-20(28)23-10-4-11-27-12-8-16(9-13-27)15-24-22(29)21-18-14-17(30-2)6-7-19(18)25-26-21/h6-7,14,16H,4,8-13,15H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
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n/an/a 880n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314383
PNG
(5-(4-hydroxyphenyl)-N-{[1-(2- methoxyethyl)piperid...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(O)cc2)CC1
Show InChI InChI=1S/C23H28N4O3/c1-30-13-12-27-10-8-16(9-11-27)15-24-23(29)22-20-14-18(4-7-21(20)25-26-22)17-2-5-19(28)6-3-17/h2-7,14,16,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)
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n/an/a 890n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314395
PNG
(US9611249, Compound 26 | {4-[({[5-(3,5-Dimethyliso...)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C21H25N5O4/c1-12-19(13(2)30-25-12)15-3-4-17-16(9-15)20(24-23-17)21(29)22-10-14-5-7-26(8-6-14)11-18(27)28/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,22,29)(H,23,24)(H,27,28)
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n/an/a 910n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314408
PNG
(5-methoxy-N-({1-[3-(propanoylamino) propyl]piperid...)
Show SMILES CCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C21H31N5O3/c1-3-19(27)22-9-4-10-26-11-7-15(8-12-26)14-23-21(28)20-17-13-16(29-2)5-6-18(17)24-25-20/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)
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n/an/a 950n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314400
PNG
(US9611249, Compound 31 | [4-({[(5-ethyl-1H-indazol...)
Show SMILES CCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C18H24N4O3/c1-2-12-3-4-15-14(9-12)17(21-20-15)18(25)19-10-13-5-7-22(8-6-13)11-16(23)24/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,25)(H,20,21)(H,23,24)
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n/an/a 960n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314406
PNG
(N-({1-[3-(butanoylamino)propyl] piperidin-4-yl}met...)
Show SMILES CCCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C22H33N5O3/c1-3-5-20(28)23-10-4-11-27-12-8-16(9-13-27)15-24-22(29)21-18-14-17(30-2)6-7-19(18)25-26-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
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n/an/a 970n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314390
PNG
(4-[4-({[(5-methoxy-1H-indazol-3-yl) carbonyl]amino...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(O)=O)CC3)c2c1
Show InChI InChI=1S/C19H26N4O4/c1-27-14-4-5-16-15(11-14)18(22-21-16)19(26)20-12-13-6-9-23(10-7-13)8-2-3-17(24)25/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,22)(H,24,25)
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n/an/a 1.03E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314402
PNG
(US9611249, Compound 33 | {4-[({[5-(3,6-dihydro-2H-...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)C2=CCOCC2)CC1 |t:23|
Show InChI InChI=1S/C21H26N4O4/c26-19(27)13-25-7-3-14(4-8-25)12-22-21(28)20-17-11-16(1-2-18(17)23-24-20)15-5-9-29-10-6-15/h1-2,5,11,14H,3-4,6-10,12-13H2,(H,22,28)(H,23,24)(H,26,27)
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n/an/a 1.04E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314389
PNG
(5-(2-ethoxy-4,5-difluorophenyl)-N- {[1-(2-methoxye...)
Show SMILES CCOc1cc(F)c(F)cc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCOC)CC3)c2c1
Show InChI InChI=1S/C25H30F2N4O3/c1-3-34-23-14-21(27)20(26)13-18(23)17-4-5-22-19(12-17)24(30-29-22)25(32)28-15-16-6-8-31(9-7-16)10-11-33-2/h4-5,12-14,16H,3,6-11,15H2,1-2H3,(H,28,32)(H,29,30)
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n/an/a 1.06E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314403
PNG
(US9611249, Compound 34 | [4-({[(5-cyclohexyl-1H-in...)
Show SMILES OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)C2CCCCC2)CC1
Show InChI InChI=1S/C22H30N4O3/c27-20(28)14-26-10-8-15(9-11-26)13-23-22(29)21-18-12-17(6-7-19(18)24-25-21)16-4-2-1-3-5-16/h6-7,12,15-16H,1-5,8-11,13-14H2,(H,23,29)(H,24,25)(H,27,28)
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n/an/a 1.07E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314386
PNG
(N-{[1-(2-methoxyethyl)piperidin-4- yl]methyl}-5-(2...)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2OC)CC1
Show InChI InChI=1S/C23H29N5O3/c1-30-13-12-28-10-7-16(8-11-28)15-25-22(29)21-19-14-17(5-6-20(19)26-27-21)18-4-3-9-24-23(18)31-2/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3,(H,25,29)(H,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314404
PNG
(US9611249, Compound 35 | [4-({[(5-pentyl-1H-indazo...)
Show SMILES CCCCCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C21H30N4O3/c1-2-3-4-5-15-6-7-18-17(12-15)20(24-23-18)21(28)22-13-16-8-10-25(11-9-16)14-19(26)27/h6-7,12,16H,2-5,8-11,13-14H2,1H3,(H,22,28)(H,23,24)(H,26,27)
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n/an/a 2.04E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314405
PNG
(5-methoxy-N-[(1-{3- [(phenylcarbonyl)amino]propyl}...)
Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C25H31N5O3/c1-33-20-8-9-22-21(16-20)23(29-28-22)25(32)27-17-18-10-14-30(15-11-18)13-5-12-26-24(31)19-6-3-2-4-7-19/h2-4,6-9,16,18H,5,10-15,17H2,1H3,(H,26,31)(H,27,32)(H,28,29)
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n/an/a 3.42E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM314401
PNG
(US9611249, Compound 32 | {4-[({[5-(propan-2-yl)-1H...)
Show SMILES CC(C)c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1
Show InChI InChI=1S/C19H26N4O3/c1-12(2)14-3-4-16-15(9-14)18(22-21-16)19(26)20-10-13-5-7-23(8-6-13)11-17(24)25/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,26)(H,21,22)(H,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.91E+3n/an/an/an/an/an/a



AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A.

US Patent


Assay Description
Activity on human GSK-3β was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screen...

US Patent US9611249 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P79
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%