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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM484709'   
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))
BDBM484709
PNG
(US10934297, Compound 106 | US11713320, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC(F)(F)CN3CCCC3)c2c1
Show InChI InChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/an/an/a 14n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q20P144B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484709
PNG
(US10934297, Compound 106 | US11713320, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC(F)(F)CN3CCCC3)c2c1
Show InChI InChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: 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-respo...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair