BDBM50161809 CHEMBL3787119

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

InChI Key: InChIKey=KJPUOSJHTPMKNW-BGPOSVGRSA-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 = 50161809   

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))	BDBM50161809 (CHEMBL3787119) Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC Show InChI InChI=1S/C25H26Br2O8/c1-29-17-9-13(19(26)24(33-5)22(17)31-3)7-15-11-35-12-16(21(15)28)8-14-10-18(30-2)23(32-4)25(34-6)20(14)27/h7-10H,11-12H2,1-6H3/b15-7+,16-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50161809 (CHEMBL3787119) Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC Show InChI InChI=1S/C25H26Br2O8/c1-29-17-9-13(19(26)24(33-5)22(17)31-3)7-15-11-35-12-16(21(15)28)8-14-10-18(30-2)23(32-4)25(34-6)20(14)27/h7-10H,11-12H2,1-6H3/b15-7+,16-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	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