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SMILES: COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(Br)ccc3o2)cc1

InChI Key: InChIKey=DCNMOYLMFVFNBI-UHFFFAOYSA-N

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 = 50118959   
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))		BDBM50118959
PNG
(CHEMBL3617380)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C19H14BrN3O3S/c1-25-14-5-3-13(4-6-14)21-18(24)23-19-22-15(10-27-19)17-9-11-8-12(20)2-7-16(11)26-17/h2-10H,1H3,(H2,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition ...

Eur J Med Chem 102: 80-92 (2015)


BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50118959
PNG
(CHEMBL3617380)
Show SMILES COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C19H14BrN3O3S/c1-25-14-5-3-13(4-6-14)21-18(24)23-19-22-15(10-27-19)17-9-11-8-12(20)2-7-16(11)26-17/h2-10H,1H3,(H2,21,22,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.28E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition b...

Eur J Med Chem 102: 80-92 (2015)


BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair