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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 = 'BDBM385254'   
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))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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US Patent
n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair