BDBM50291665 CHEMBL4165327

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3Br)C(=O)c2cc1OC

InChI Key: InChIKey=HJANHZWEMNJHRA-UHFFFAOYSA-M

Data: 3 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 3 hits for monomerid = 50291665   

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 (Homo sapiens (Human))	BDBM50291665 (CHEMBL4165327) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3Br)C(=O)c2cc1OC Show InChI InChI=1S/C24H23BrNO3.BrH/c1-28-22-12-18-11-19(24(27)20(18)13-23(22)29-2)10-17-8-9-26(15-21(17)25)14-16-6-4-3-5-7-16;/h3-9,12-13,15,19H,10-11,14H2,1-2H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50291665 (CHEMBL4165327) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3Br)C(=O)c2cc1OC Show InChI InChI=1S/C24H23BrNO3.BrH/c1-28-22-12-18-11-19(24(27)20(18)13-23(22)29-2)10-17-8-9-26(15-21(17)25)14-16-6-4-3-5-7-16;/h3-9,12-13,15,19H,10-11,14H2,1-2H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and m...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50291665 (CHEMBL4165327) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3Br)C(=O)c2cc1OC Show InChI InChI=1S/C24H23BrNO3.BrH/c1-28-22-12-18-11-19(24(27)20(18)13-23(22)29-2)10-17-8-9-26(15-21(17)25)14-16-6-4-3-5-7-16;/h3-9,12-13,15,19H,10-11,14H2,1-2H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair