BDBM50079203 CHEMBL3416669

SMILES: COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)c(Cl)c1

InChI Key: InChIKey=HQJYIGWZKZCCJR-HMAPJEAMSA-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 = 50079203   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50079203 (CHEMBL3416669) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C23H24ClNO4/c1-27-17-6-7-18-21(15-17)29-22(23(18)26)14-16-5-8-20(19(24)13-16)28-12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3/b22-14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50079203 (CHEMBL3416669) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C23H24ClNO4/c1-27-17-6-7-18-21(15-17)29-22(23(18)26)14-16-5-8-20(19(24)13-16)28-12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3/b22-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair