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BDBM50199161 CHEMBL3961411

SMILES: CN(C)Cc1ccc(CSCCNc2nnc(c(C)c2[N+]([O-])=O)-c2ccccc2)o1

InChI Key:

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50199161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50199161
PNG
(CHEMBL3961411)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(c(C)c2[N+]([O-])=O)-c2ccccc2)o1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.71E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50199161
PNG
(CHEMBL3961411)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnc(c(C)c2[N+]([O-])=O)-c2ccccc2)o1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method


Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair