BDBM50079206 CHEMBL3416666

SMILES: CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OC)cc1

InChI Key: InChIKey=JFUXZGZNINVQMA-UNOMPAQXSA-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 = 50079206   

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))	BDBM50079206 (CHEMBL3416666) Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OC)cc1 Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)26-16-10-11-17-18(13-16)27-19(20(17)23)12-14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3/b19-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	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))	BDBM50079206 (CHEMBL3416666) Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OC)cc1 Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)26-16-10-11-17-18(13-16)27-19(20(17)23)12-14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3/b19-12-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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