BDBM10698 3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate::3-{[methyl(7-{[(2Z)-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)amino]methyl}phenyl N-methylcarbamate::CHEMBL364545::Xanthostigmine deriv. 10b

SMILES: CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1

InChI Key: InChIKey=WNFYHXIHRPVKKQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 10698   

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))	BDBM10698 (3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10698 (3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10698 (3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10698 (3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair