BDBM50161806 CHEMBL3786242

SMILES: COc1cc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC

InChI Key: InChIKey=WIHVLDMNJALTNU-FWSOMWAYSA-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 = 50161806   

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))	BDBM50161806 (CHEMBL3786242) Show SMILES COc1cc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC Show InChI InChI=1S/C32H33Br2NO7/c1-37-24-14-20(26(33)31(41-5)29(24)39-3)12-22-17-35(16-19-10-8-7-9-11-19)18-23(28(22)36)13-21-15-25(38-2)30(40-4)32(42-6)27(21)34/h7-15H,16-18H2,1-6H3/b22-12+,23-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 min...				Bioorg Med Chem 24: 2352-9 (2016) BindingDB Entry DOI: 10.7270/Q2S46TVJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50161806 (CHEMBL3786242) Show SMILES COc1cc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC Show InChI InChI=1S/C32H33Br2NO7/c1-37-24-14-20(26(33)31(41-5)29(24)39-3)12-22-17-35(16-19-10-8-7-9-11-19)18-23(28(22)36)13-21-15-25(38-2)30(40-4)32(42-6)27(21)34/h7-15H,16-18H2,1-6H3/b22-12+,23-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mi...				Bioorg Med Chem 24: 2352-9 (2016) BindingDB Entry DOI: 10.7270/Q2S46TVJ
					More data for this Ligand-Target Pair