BDBM50397745 CHEMBL2177161

SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

InChI Key InChIKey=FHCSBLWRGCOVPT-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Koff

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50397745   

TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50397745(CHEMBL2177161)
Affinity DataKi:  4.90nMAssay Description:Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50397745(CHEMBL2177161)
Affinity DataKi:  4.90nMAssay Description:Binding affinity to GSK-3 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50397745(CHEMBL2177161)
Affinity DataKon:  0.0193M-1s-1Assay Description:Binding affinity to recombinant GSK3beta (unknown origin) assessed as dissociation rate constant upto 0.00975 uM by SPR analysisMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50397745(CHEMBL2177161)
Affinity DataIC50:  76nMAssay Description:Inhibition of GSK3beta-mediated Tau phosphorylation in mouse 3T3 cells after 4 hrs by Western blot analysisMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50397745(CHEMBL2177161)
Affinity DataIC50:  5nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair