BindingDB logo
myBDB logout

PubMed code 27423119

Compile data set for download or QSAR
Found 9 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))
BDBM50193591
PNG
(CHEMBL3949218)
Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H15N3O4S/c1-25-15-8-7-13(9-14(15)21(23)24)10-16-17(22)20-18(26-16)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,22)/b16-10-
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 2.10n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193589
PNG
(CHEMBL3940448)
Show SMILES [O-][N+](=O)c1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1Cl
Show InChI InChI=1S/C17H12ClN3O3S/c18-13-7-6-12(8-14(13)21(23)24)9-15-16(22)20-17(25-15)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,22)/b15-9-
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 24n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193567
PNG
(CHEMBL2206750)
Show SMILES Oc1ccc(\C=C2/SC(NCc3ccccc3)=NC2=O)cc1 |c:17|
Show InChI InChI=1S/C17H14N2O2S/c20-14-8-6-12(7-9-14)10-15-16(21)19-17(22-15)18-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H,18,19,21)/b15-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193561
PNG
(CHEMBL3968891)
Show SMILES Oc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1
Show InChI InChI=1S/C16H12N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18-16(21-14)17-12-4-2-1-3-5-12/h1-10,19H,(H,17,18,20)/b14-10-
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 28n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193590
PNG
(CHEMBL3969996)
Show SMILES Fc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1
Show InChI InChI=1S/C16H11FN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193568
PNG
(CHEMBL3922494)
Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O3S/c1-23-15-9-8-14(10-16(15)24-2)11-17-18(22)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)/b17-11-
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 44n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193593
PNG
(CHEMBL3950215)
Show SMILES CCOc1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C19H18N2O3S/c1-2-24-16-10-14(8-9-15(16)22)11-17-18(23)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21,23)/b17-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193588
PNG
(CHEMBL567958)
Show SMILES COc1ccc(\C=C2/SC(=N)NC2=O)cc1OC
Show InChI InChI=1S/C12H12N2O3S/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50193592
PNG
(CHEMBL3926696)
Show SMILES OC(=O)c1cc(\C=C2/SC(=N)NC2=O)ccc1O
Show InChI InChI=1S/C11H8N2O4S/c12-11-13-9(15)8(18-11)4-5-1-2-7(14)6(3-5)10(16)17/h1-4,14H,(H,16,17)(H2,12,13,15)/b8-4-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay


Eur J Med Chem 121: 727-736 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.075
BindingDB Entry DOI: 10.7270/Q2SJ1NK4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%