BDBM50079122 CHEMBL3416640

SMILES: CCN(CC)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1

InChI Key: InChIKey=PXAQGRIQPRFKND-WQRHYEAKSA-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 = 50079122   

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))	BDBM50079122 (CHEMBL3416640) Show SMILES CCN(CC)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C19H19NO3/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-19(22)16-10-9-15(21)12-17(16)23-18/h5-12,21H,3-4H2,1-2H3/b18-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50079122 (CHEMBL3416640) Show SMILES CCN(CC)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C19H19NO3/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-19(22)16-10-9-15(21)12-17(16)23-18/h5-12,21H,3-4H2,1-2H3/b18-11-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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