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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 = 'BDBM47165'   
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))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US9364459 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FK2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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PC sid
UniChem
US Patent
n/an/a 2.25E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair