BDBM50436832 CHEMBL3038156

SMILES: COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CCCCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1

InChI Key: InChIKey=MLJYBRUIRHAJFB-BDDDNNTESA-N

Data: 1 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 1 hit for monomerid = 50436832   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50436832 (CHEMBL3038156) Show SMILES COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CCCCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C39H38N2O4/c1-40-23-28(22-25-13-17-29(44-2)18-14-25)36(42)38(24-40)35(27-15-19-30(45-3)20-16-27)33-12-4-5-21-41(33)39(38)32-11-7-9-26-8-6-10-31(34(26)32)37(39)43/h6-11,13-20,22,33,35H,4-5,12,21,23-24H2,1-3H3/b28-22+/t33-,35-,38-,39-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 30 mins by Ellman's method				Eur J Med Chem 65: 240-8 (2013) Article DOI: 10.1016/j.ejmech.2013.04.050 BindingDB Entry DOI: 10.7270/Q23T9JNC
					More data for this Ligand-Target Pair