BDBM50552474 CHEMBL4752296

SMILES CNC(=O)c1sc(nc1OC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

InChI Key InChIKey=PRPWHGXEZKOGPD-UHFFFAOYSA-N

Data  5 IC50

  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 = 50552474   

TargetGlycogen synthase kinase-3 beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50552474BDBM50552474(CHEMBL4752296)
Affinity DataIC50: 7nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged GSK3beta H350L mutant expressed in baculovirus infected Sf21 cells using prephosphorylated pol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50552474BDBM50552474(CHEMBL4752296)
Affinity DataIC50: 7nMAssay Description:Inhibition of GSK3beta (unknown origin) using GS-1 peptide as a substrate incubated 30 mins in presence of [gamma32P]ATP by scintillation counting me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50552474BDBM50552474(CHEMBL4752296)
Affinity DataIC50: 73nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCholinesterase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50552474BDBM50552474(CHEMBL4752296)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of human BChE using butyrylthiocholineiodide as substrate incubated for 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50552474BDBM50552474(CHEMBL4752296)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed