BDBM50657875 CHEMBL6160695

SMILES S=C(N/N=C/c1ccccc1)Nc1c2c(nc3ccccc13)CCCC2

InChI Key InChIKey=WBILCNIETARUTR-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 50657875   

TargetCholinesterase(Horse)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataKi:  1.41E+3nMAssay Description:Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate at 3 uM preincubated for 10 mins followed by substrate addit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataKi:  1.66E+3nMAssay Description:Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate at 11 uM preincubated for 10 mins followed by substrate addit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCholinesterase(Horse)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataKi:  3.63E+3nMAssay Description:Non-competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCholinesterase(Horse)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataIC50: 5.38E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's meth...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataKi:  9.82E+3nMAssay Description:Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
Universidade Federal Rural do Rio de Janeiro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657875BDBM50657875(CHEMBL6160695)
Affinity DataIC50: 1.36E+4nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed