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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM293492'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
PDB
MMDB

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PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/a25



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &#...


US Patent US10106527 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97Q3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10544128 (2020)


BindingDB Entry DOI: 10.7270/Q2H134DS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologiesa Div...


US Patent US9951048 (2018)


BindingDB Entry DOI: 10.7270/Q2862JRD
More data for this
Ligand-Target Pair