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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 = 'BDBM50313664'   
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))
BDBM50313664
PNG
(CHEMBL1077218 | N-(6-chloro-5-(furan-3-yl)-1H-inda...)
Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccoc1
Show InChI InChI=1S/C15H14ClN3O2/c1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h4-8H,2-3H2,1H3,(H2,17,18,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using gamma[33P]-ATP after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 20: 1985-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.114
BindingDB Entry DOI: 10.7270/Q2QN66XJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50313664
PNG
(CHEMBL1077218 | N-(6-chloro-5-(furan-3-yl)-1H-inda...)
Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccoc1
Show InChI InChI=1S/C15H14ClN3O2/c1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h4-8H,2-3H2,1H3,(H2,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta by kinetic assay


Bioorg Med Chem Lett 20: 2344-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.132
BindingDB Entry DOI: 10.7270/Q2SB45WF
More data for this
Ligand-Target Pair