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Compile Data Set for Download or QSAR

Found 200 hits of ic50 data for complexid = 50000615   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523276
PNG
(CHEMBL4443989)
Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r|
Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m1/s1
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523265
PNG
(CHEMBL4531222)
Show SMILES O=C(Nc1cc(COCc2cn(CCCc3ccccc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C31H33N7O3/c39-30-25-11-6-12-26(29(25)27-13-4-5-17-38(27)30)33-31(40)34-28-18-23(14-15-32-28)20-41-21-24-19-37(36-35-24)16-7-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-15,18-19,27H,4-5,7,10,13,16-17,20-21H2,(H2,32,33,34,40)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523269
PNG
(CHEMBL4446287)
Show SMILES CN(Cc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C38H42N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,33H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H,40,41)(H2,39,42,43,50)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523277
PNG
(CHEMBL4516356)
Show SMILES O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C37H39N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,32H,2,4-6,9,12,14,17-19,22-23H2,(H,39,40)(H2,38,41,42,48)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523266
PNG
(CHEMBL4444585)
Show SMILES CN(CC#C)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C23H25N5O2/c1-3-12-27(2)15-16-10-11-24-20(14-16)26-23(30)25-18-8-6-7-17-21(18)19-9-4-5-13-28(19)22(17)29/h1,6-8,10-11,14,19H,4-5,9,12-13,15H2,2H3,(H2,24,25,26,30)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523282
PNG
(CHEMBL4515295)
Show SMILES O=C(Nc1cc(CCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C22H22N4O2/c1-2-3-7-15-11-12-23-19(14-15)25-22(28)24-17-9-6-8-16-20(17)18-10-4-5-13-26(18)21(16)27/h1,6,8-9,11-12,14,18H,3-5,7,10,13H2,(H2,23,24,25,28)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523267
PNG
(CHEMBL4559936)
Show SMILES O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523262
PNG
(CHEMBL4443468)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r|
Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523268
PNG
(CHEMBL4593316)
Show SMILES O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C37H39N9O2/c47-36-28-10-7-13-31(34(28)32-14-5-6-20-46(32)36)41-37(48)42-33-22-24(17-18-38-33)15-16-25-23-45(44-43-25)21-19-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,17-18,22-23,32H,2,4-6,9,12,14-16,19-21H2,(H,39,40)(H2,38,41,42,48)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50166289
PNG
(CHEBI:43645 | CHEMBL216543)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50399310
PNG
(CHEMBL2180854)
Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)
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n/an/a 22n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523274
PNG
(CHEMBL4537142)
Show SMILES Cn1cc(COCc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)nn1
Show InChI InChI=1S/C23H25N7O3/c1-29-12-16(27-28-29)14-33-13-15-8-9-24-20(11-15)26-23(32)25-18-6-4-5-17-21(18)19-7-2-3-10-30(19)22(17)31/h4-6,8-9,11-12,19H,2-3,7,10,13-14H2,1H3,(H2,24,25,26,32)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523273
PNG
(CHEMBL4459540)
Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C29H31N9O3/c39-28-23-4-3-5-24(27(23)25-6-1-2-14-38(25)28)33-29(40)34-26-16-20(7-12-32-26)18-41-19-22-17-37(36-35-22)15-13-31-21-8-10-30-11-9-21/h3-5,7-12,16-17,25H,1-2,6,13-15,18-19H2,(H,30,31)(H2,32,33,34,40)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523278
PNG
(CHEMBL4463060)
Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r|
Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523271
PNG
(CHEMBL4566076)
Show SMILES O=C(Nc1cc(ccn1)C#C)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)
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n/an/a 41n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523280
PNG
(CHEMBL4435354)
Show SMILES O=C(Nc1cc(COCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C22H22N4O3/c1-2-12-29-14-15-9-10-23-19(13-15)25-22(28)24-17-7-5-6-16-20(17)18-8-3-4-11-26(18)21(16)27/h1,5-7,9-10,13,18H,3-4,8,11-12,14H2,(H2,23,24,25,28)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523263
PNG
(CHEMBL4483607)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r|
Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m0/s1
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463034
PNG
(CHEMBL4238971)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463030
PNG
(CHEMBL4239321)
Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463027
PNG
(CHEMBL4242235)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463035
PNG
(CHEMBL4245590)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50523270
PNG
(CHEMBL4475474)
Show SMILES O=C(Nc1cccc(n1)C#C)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C20H18N4O2/c1-2-13-7-5-11-17(21-13)23-20(26)22-15-9-6-8-14-18(15)16-10-3-4-12-24(16)19(14)25/h1,5-9,11,16H,3-4,10,12H2,(H2,21,22,23,26)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...


Eur J Med Chem 168: 58-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.063
BindingDB Entry DOI: 10.7270/Q2J969S0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463036
PNG
(CHEMBL4246062)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C23H19N3O3/c1-3-25-13-17(15-9-5-7-11-19(15)25)21-20(22(27)26(29)23(21)28)16-12-24(2)18-10-6-4-8-14(16)18/h4-13,29H,3H2,1-2H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50469189
PNG
(CHEMBL4284209)
Show SMILES CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|
Show InChI InChI=1S/C26H32N8/c1-17(2)22-16-30-34-24(22)32-25(31-21-12-10-20(27)11-13-21)33-26(34)29-15-18-6-8-19(9-7-18)23-5-3-4-14-28-23/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
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Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK3 using GS-1 as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method


Eur J Med Chem 158: 1-6 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.100
BindingDB Entry DOI: 10.7270/Q27P9238
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463028
PNG
(CHEMBL4238883)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594784
PNG
(CHEMBL5196066)
Show SMILES Fc1cccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463033
PNG
(CHEMBL4244860)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4|
Show InChI InChI=1S/C32H31N5O3/c33-17-9-1-3-11-19-35-21-25(23-13-5-7-15-27(23)35)29-30(32(39)37(40)31(29)38)26-22-36(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22,40H,1-4,9-12,19-20H2
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463024
PNG
(CHEMBL4241699)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50347778
PNG
(CHEMBL1803069)
Show SMILES CN1C(Nc2ccccc2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:12.13,c:10|
Show InChI InChI=1S/C18H15N3O3/c1-21-17(22)14(20-18(21)19-13-5-3-2-4-6-13)9-12-7-8-15-16(10-12)24-11-23-15/h2-10H,11H2,1H3,(H,19,20)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594769
PNG
(CHEMBL5199422)
Show SMILES [2H]C1([2H])Oc2ccc(\C=C3/N=C(Nc4ccccc4)NC3=O)cc2O1 |t:10|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594771
PNG
(CHEMBL5181355)
Show SMILES CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:3|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM7392
PNG
(2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-...)
Show SMILES O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594772
PNG
(CHEMBL5187895)
Show SMILES CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:3|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594768
PNG
(CHEMBL5195122)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccccc3)NC2=O)ccc1O |t:7|
PDB

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50568546
PNG
(CHEMBL4853288)
Show SMILES Nc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
PDB

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UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain GSK alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate in presence of [gamma-33P]ATP by radiometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112956
BindingDB Entry DOI: 10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594767
PNG
(CHEMBL5191942)
Show SMILES Oc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1O |t:7|
PDB

UniProtKB/TrEMBL

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594781
PNG
(CHEMBL5193677)
Show SMILES O=C1NC(NC2CCNCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594773
PNG
(CHEMBL5206143)
Show SMILES CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:4|
PDB

UniProtKB/TrEMBL

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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50594786
PNG
(CHEMBL5170033)
Show SMILES Cc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c(C)c1 |t:6|
PDB

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50347756
PNG
(CHEMBL1802843)
Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|
Show InChI InChI=1S/C15H17N3O3/c1-3-6-16-15-17-11(14(19)18(15)2)7-10-4-5-12-13(8-10)21-9-20-12/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50488807
PNG
(CHEMBL2295941)
Show SMILES CC(C)CC[C@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C24H30N8O/c1-15(2)9-10-19(33)29-24-30-22(20-23(31-24)32(14-27-20)16(3)4)28-18-8-5-7-17(13-18)21-25-11-6-12-26-21/h5-8,11-16,19,33H,9-10H2,1-4H3,(H2,28,29,30,31)/t19-/m0/s1
PDB

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Article
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sus scrofa (pig) glycogen synthase kinase 3alpha/beta isolated from brain using YRRAAVPPSPSLSRHSSPHQpSEDEEE and [gamma33P]ATP as substr...


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair
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