BDBM50079115 CHEMBL3416646

SMILES: COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C

InChI Key: InChIKey=VYGBDEJXWHUVKT-YVLHZVERSA-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 = 50079115   

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))	BDBM50079115 (CHEMBL3416646) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C18H17NO3/c1-19(2)13-6-4-12(5-7-13)10-17-18(20)15-9-8-14(21-3)11-16(15)22-17/h4-11H,1-3H3/b17-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.18E+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))	BDBM50079115 (CHEMBL3416646) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C18H17NO3/c1-19(2)13-6-4-12(5-7-13)10-17-18(20)15-9-8-14(21-3)11-16(15)22-17/h4-11H,1-3H3/b17-10-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+4	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