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BDBM50140171 CHEMBL2403496

SMILES: Clc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1

InChI Key: InChIKey=NUCLDLOABHOOOA-UHFFFAOYSA-N

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 = 50140171   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50140171
PNG
(CHEMBL2403496)
Show SMILES Clc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.53E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...


Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50140171
PNG
(CHEMBL2403496)
Show SMILES Clc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...


Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair