BDBM50574588 CHEMBL4873612

SMILES Fc1ccc(CN2CCC(COc3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)cc1

InChI Key InChIKey=YNKUUJYZUJYJRR-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50574588   

TargetAcetylcholinesterase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574588(CHEMBL4873612)
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant AChE preincubated for 1 min in presence of DNTB followed by addition of acetylthiocholine iodide substrate and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574588(CHEMBL4873612)
Affinity DataIC50: 12nMAssay Description:Inhibition of electric eel recombinant AChE preincubated for 1 min in presence of DNTB followed by addition of acetylthiocholine iodide substrate and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574588(CHEMBL4873612)
Affinity DataIC50: 31nMAssay Description:Inhibition of human recombinant N-terminal His-tagged GSK3beta expressed in Escherichia coli using RRRPASVPPSPSLS RHS(pS)HQRR as substrate incubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCholinesterase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574588(CHEMBL4873612)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of BChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed