BDBM50481597 CHEMBL611462

SMILES: COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1

InChI Key: InChIKey=OXFRMEXLWLRVLP-UHFFFAOYSA-N

Data: 2 KI

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 = 50481597   

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 (Mus musculus (mouse))	BDBM50481597 (CHEMBL611462) Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1 |c:21,28| Show InChI InChI=1S/C39H44FN6O8PS2/c1-53-55(40,47)19-3-2-18-46-24-27(42-43-46)23-41-56(48,49)28-12-13-29(34(22-28)57(50,51)52)35-32-20-25-8-4-14-44-16-6-10-30(36(25)44)38(32)54-39-31-11-7-17-45-15-5-9-26(37(31)45)21-33(35)39/h12-13,20-22,24,41H,2-11,14-19,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE				Bioorg Med Chem Lett 20: 1194-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.007 BindingDB Entry DOI: 10.7270/Q27W6G0T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50481597 (CHEMBL611462) Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1 |c:21,28| Show InChI InChI=1S/C39H44FN6O8PS2/c1-53-55(40,47)19-3-2-18-46-24-27(42-43-46)23-41-56(48,49)28-12-13-29(34(22-28)57(50,51)52)35-32-20-25-8-4-14-44-16-6-10-30(36(25)44)38(32)54-39-31-11-7-17-45-15-5-9-26(37(31)45)21-33(35)39/h12-13,20-22,24,41H,2-11,14-19,23H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of electric eel recombinant AChE				Bioorg Med Chem Lett 20: 1194-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.007 BindingDB Entry DOI: 10.7270/Q27W6G0T
					More data for this Ligand-Target Pair