BDBM50291577 CHEMBL4159243

SMILES: [Br-].COC(=O)c1ccccc1C[n+]1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c(c1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

InChI Key: InChIKey=AZKLKDTVZOFMDJ-UHFFFAOYSA-M

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 = 50291577   

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))	BDBM50291577 (CHEMBL4159243) Show SMILES [Br-].COC(=O)c1ccccc1C[n+]1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c(c1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C33H27Cl3NO7.BrH/c1-41-28-12-20-11-21(30(38)24(20)15-29(28)42-2)10-18-8-9-37(16-19-6-4-5-7-23(19)32(39)43-3)17-25(18)33(40)44-31-26(35)13-22(34)14-27(31)36;/h4-9,12-15,17,21H,10-11,16H2,1-3H3;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	69	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
Cholinesterase (Equus caballus (Horse))	BDBM50291577 (CHEMBL4159243) Show SMILES [Br-].COC(=O)c1ccccc1C[n+]1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c(c1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C33H27Cl3NO7.BrH/c1-41-28-12-20-11-21(30(38)24(20)15-29(28)42-2)10-18-8-9-37(16-19-6-4-5-7-23(19)32(39)43-3)17-25(18)33(40)44-31-26(35)13-22(34)14-27(31)36;/h4-9,12-15,17,21H,10-11,16H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	373	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