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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 92353   
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
Putative glycogen synthase kinase 3 alpha


(Ustilago maydis (Smut fungus))
BDBM92353
PNG
(Sorafenib derivative, 16)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OCCCC(O)=O)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C25H22ClF3N4O6/c1-30-23(36)20-11-16(8-9-31-20)39-15-6-4-14(5-7-15)32-24(37)33-19-12-17(25(27,28)29)18(26)13-21(19)38-10-2-3-22(34)35/h4-9,11-13H,2-3,10H2,1H3,(H,30,36)(H,34,35)(H2,32,33,37)
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UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


ACS Chem Biol 7: 1257-67 (2012)


Article DOI: 10.1021/cb300128b
BindingDB Entry DOI: 10.7270/Q29S1PNH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM92353
PNG
(Sorafenib derivative, 16)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OCCCC(O)=O)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C25H22ClF3N4O6/c1-30-23(36)20-11-16(8-9-31-20)39-15-6-4-14(5-7-15)32-24(37)33-19-12-17(25(27,28)29)18(26)13-21(19)38-10-2-3-22(34)35/h4-9,11-13H,2-3,10H2,1H3,(H,30,36)(H,34,35)(H2,32,33,37)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSK-3beta using Ser/Thr 6 peptide as substrate preincubated for 60 mins followed by ATP and substrate addition and measured after...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01568
BindingDB Entry DOI: 10.7270/Q2MK6HMM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM92353
PNG
(Sorafenib derivative, 16)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OCCCC(O)=O)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C25H22ClF3N4O6/c1-30-23(36)20-11-16(8-9-31-20)39-15-6-4-14(5-7-15)32-24(37)33-19-12-17(25(27,28)29)18(26)13-21(19)38-10-2-3-22(34)35/h4-9,11-13H,2-3,10H2,1H3,(H,30,36)(H,34,35)(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


ACS Chem Biol 7: 1257-67 (2012)


Article DOI: 10.1021/cb300128b
BindingDB Entry DOI: 10.7270/Q29S1PNH
More data for this
Ligand-Target Pair