BDBM50080232 CHEMBL3416516

SMILES: Cl.CCOc1ccc2C(=O)\C(COc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=MIFRTSUAZVHAJD-DIRYEVLESA-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 = 50080232   

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))	BDBM50080232 (CHEMBL3416516) Show SMILES Cl.CCOc1ccc2C(=O)\C(COc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H31NO4.ClH/c1-2-29-23-11-12-24-25(18-23)31-19-21(26(24)28)17-20-7-9-22(10-8-20)30-16-6-15-27-13-4-3-5-14-27;/h7-12,17-18H,2-6,13-16,19H2,1H3;1H/b21-17+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 3 mins before butyrylthiocholine substrate addition by Ellman's reagent based spectrophotometry				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50080232 (CHEMBL3416516) Show SMILES Cl.CCOc1ccc2C(=O)\C(COc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H31NO4.ClH/c1-2-29-23-11-12-24-25(18-23)31-19-21(26(24)28)17-20-7-9-22(10-8-20)30-16-6-15-27-13-4-3-5-14-27;/h7-12,17-18H,2-6,13-16,19H2,1H3;1H/b21-17+;	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Ellman's reagent based spectrophotometry				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair