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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 = 'BDBM385210'   
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))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
PDB
MMDB

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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 US10287267 (2019)


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


(Homo sapiens (Human))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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 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))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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 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