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BDBM50445693 CHEMBL3104448

SMILES: COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC

InChI Key: InChIKey=LWWIMYKKFBLYLV-RVDMUPIBSA-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 = 50445693   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50445693
PNG
(CHEMBL3104448)
Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC
Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...

Bioorg Med Chem 22: 906-16 (2014)


Article DOI: 10.1016/j.bmc.2013.11.020
BindingDB Entry DOI: 10.7270/Q23R0VBZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))		BDBM50445693
PNG
(CHEMBL3104448)
Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC
Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...

Bioorg Med Chem 22: 906-16 (2014)


Article DOI: 10.1016/j.bmc.2013.11.020
BindingDB Entry DOI: 10.7270/Q23R0VBZ
More data for this
Ligand-Target Pair