BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12969 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase 3'   
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))
BDBM50491919
PNG
(CHEMBL2386094)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCOCC1 |t:11|
Show InChI InChI=1S/C28H23FN4O5/c29-17-11-16-13-33(28(36)31-7-9-37-10-8-31)6-5-32-14-20(19(12-17)25(16)32)23-24(27(35)30-26(23)34)21-15-38-22-4-2-1-3-18(21)22/h1-4,11-12,14-15H,5-10,13H2,(H,30,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610391
PNG
(CHEMBL5290966)
Show SMILES C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.0600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 0.0900n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 0.0900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610453
PNG
(2-Phenyl-N-(4-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251572
PNG
(US9452998, Table 4 Compound 2)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F
Show InChI InChI=1S/C21H22FN7O/c22-15-4-2-1-3-14(15)16-12-26-20(24)19(27-16)21(30)28-17-11-25-8-5-18(17)29-9-6-13(23)7-10-29/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/a7.025



NOVARTIS AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610453
PNG
(2-Phenyl-N-(4-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610459
PNG
(N-(4-(4-Cyanopiperidin-1-yl)pyridin-3-yl)-2-phenyl...)
Show SMILES O=C(Nc1cnccc1N1CCC(CC1)C#N)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610486
PNG
(2-(Cyclohex-1-en-1-yl)-N-(4-(4,4-difluoropiperidin...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:30|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610384
PNG
(CHEMBL5268011)
Show SMILES CC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613245
PNG
(CHEMBL5266553)
Show SMILES C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269429
PNG
(CHEMBL4084855)
Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293306
PNG
(3-(5-methoxybenzofuran-7-yl)-4-(1-(2-(4-methylpipe...)
Show SMILES COc1cc(C2=C(C(=O)NC2=O)c2cn(CCN3CCN(C)CC3)c3ccccc23)c2occc2c1 |t:5|
Show InChI InChI=1S/C28H28N4O4/c1-30-8-10-31(11-9-30)12-13-32-17-22(20-5-3-4-6-23(20)32)25-24(27(33)29-28(25)34)21-16-19(35-2)15-18-7-14-36-26(18)21/h3-7,14-17H,8-13H2,1-2H3,(H,29,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Sterling Road

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 44: 2361-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.012
BindingDB Entry DOI: 10.7270/Q2057FZX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610396
PNG
(CHEMBL5278104)
Show SMILES CC1(C)COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610428
PNG
(CHEMBL5284020)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,27.29,(4.1,-2.55,;3.33,-1.21,;2.56,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-3.09,-3.84,;-1.98,-4.95,;-1.98,-6.49,;-.89,-3.86,;-2.01,1.87,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.160n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613418
PNG
(CHEMBL5268185)
Show SMILES Fc1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)c(c1)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610483
PNG
(2-Cyclopropyl-N-(4-(4,4-difluoropiperidin-1-yl)pyr...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610389
PNG
(CHEMBL5282887)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.190n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251574
PNG
(US9452998, Table 4 Compound 4)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c22-15-7-10-28(11-8-15)18-6-9-24-12-17(18)27-21(29)19-20(23)25-13-16(26-19)14-4-2-1-3-5-14/h1-6,9,12-13,15H,7-8,10-11,22H2,(H2,23,25)(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.025



NOVARTIS AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610483
PNG
(2-Cyclopropyl-N-(4-(4,4-difluoropiperidin-1-yl)pyr...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251576
PNG
(US9452998, Table 4 Compound 6)
Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCNCC1)-c1ccccc1F
Show InChI InChI=1S/C20H20FN7O/c21-14-4-2-1-3-13(14)15-12-25-19(22)18(26-15)20(29)27-16-11-24-6-5-17(16)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10H2,(H2,22,25)(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.025



NOVARTIS AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610458
PNG
(2-Phenyl-N-(4-(piperidin-1-yl)pyridin-3-yl)imidazo...)
Show SMILES O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM610459
PNG
(N-(4-(4-Cyanopiperidin-1-yl)pyridin-3-yl)-2-phenyl...)
Show SMILES O=C(Nc1cnccc1N1CCC(CC1)C#N)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610460
PNG
(N-(4-(4-Fluoropiperidin-1-yl)pyridin-3-yl)-2-pheny...)
Show SMILES FC1CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610461
PNG
(N-(4-(4,4-Difluoropiperidin-1-yl)pyridin-3-yl)-2-p...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610462
PNG
(N-(4-Morpholinopyridin-3-yl)-2-phenylimidazo[1,2-b...)
Show SMILES O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491937
PNG
(CHEMBL2386090)
Show SMILES O=C(N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23)c1cnccn1 |t:8|
Show InChI InChI=1S/C28H19N5O4/c34-26-23(24(27(35)31-26)20-15-37-22-7-2-1-5-17(20)22)19-14-32-10-11-33(28(36)21-12-29-8-9-30-21)13-16-4-3-6-18(19)25(16)32/h1-9,12,14-15H,10-11,13H2,(H,31,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269428
PNG
(CHEMBL4063206)
Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269437
PNG
(CHEMBL4077376)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r|
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610473
PNG
(N-(6-Fluoro-4-morpholinopyridin-3-yl)-2-phenylimid...)
Show SMILES CC1CN(CCO1)c1cc(F)ncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610477
PNG
(N-(4-Morpholinopyridin-3-yl)-2-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cn2nccc(C(=O)Nc3cnccc3N3CCOCC3)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251575
PNG
(US9452998, Table 4 Compound 5)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1
Show InChI InChI=1S/C22H25N7O2/c1-31-16-4-2-14(3-5-16)17-13-26-21(24)20(27-17)22(30)28-18-12-25-9-6-19(18)29-10-7-15(23)8-11-29/h2-6,9,12-13,15H,7-8,10-11,23H2,1H3,(H2,24,26)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.025



NOVARTIS AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610462
PNG
(N-(4-Morpholinopyridin-3-yl)-2-phenylimidazo[1,2-b...)
Show SMILES O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.210n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610461
PNG
(N-(4-(4,4-Difluoropiperidin-1-yl)pyridin-3-yl)-2-p...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610477
PNG
(N-(4-Morpholinopyridin-3-yl)-2-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cn2nccc(C(=O)Nc3cnccc3N3CCOCC3)c2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.230n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267760
PNG
(3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-i...)
Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
Show InChI InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610458
PNG
(2-Phenyl-N-(4-(piperidin-1-yl)pyridin-3-yl)imidazo...)
Show SMILES O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50610383
PNG
(CHEMBL5283410)
Show SMILES CC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613417
PNG
(CHEMBL5290300)
Show SMILES Fc1ccc(c(Cl)c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.280n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50074676
PNG
(CHEMBL3410091)
Show SMILES NC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-8-9-1-2-9)21-17(25-13)11-5-6-19-12(7-11)20-15(23)10-3-4-10/h5-7,9-10H,1-4,8H2,(H2,18,22)(H,19,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118096
PNG
(US8664219, I-16 | US8664219, I-8)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1
Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM610453
PNG
(2-Phenyl-N-(4-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610457
PNG
(N-(4-(4-Cyanophenyl)pyridin-3-yl)-2-phenylimidazo[...)
Show SMILES O=C(Nc1cnccc1-c1ccc(cc1)C#N)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610469
PNG
((S)—N-(4-(3-Methylmorpholino)pyridin-3-yl)-2-pheny...)
Show SMILES C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC659P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50474994
PNG
(Bisarylmaleimide 1)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cccnn34)c3cccc(C1)c23 |t:15|
Show InChI InChI=1S/C27H25N7O3/c35-25-22(23(26(36)30-25)20-14-28-21-8-5-9-29-34(20)21)19-16-32-12-13-33(27(37)31-10-2-1-3-11-31)15-17-6-4-7-18(19)24(17)32/h4-9,14,16H,1-3,10-13,15H2,(H,30,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Ser396 phosphorylation of tau, a natural substrate of GSK-3 in SY5Y cells


Bioorg Med Chem Lett 15: 899-903 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.063
BindingDB Entry DOI: 10.7270/Q2H70JJG
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 12969 total )  |  Next  |  Last  >>
Jump to: