BindingDB PrimarySearch

BDBM10693 3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})amino]methyl}phenyl N-methylcarbamate::CHEMBL189957::Xanthostigmine deriv. 2::aminoalkoxyaryl deriv. 12b

SMILES: CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1

InChI Key: InChIKey=QKVHGMOFMMASRA-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 10693
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	0.320	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
University of Bologna					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	16.5	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
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	0.320	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 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human AChE				ACS Med Chem Lett 3: 182-186 (2012) Article DOI: 10.1021/ml200313p BindingDB Entry DOI: 10.7270/Q29W0GJB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	16.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				Bioorg Med Chem 15: 575-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.026 BindingDB Entry DOI: 10.7270/Q2JS9Q2H
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AchE				Bioorg Med Chem 15: 575-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.026 BindingDB Entry DOI: 10.7270/Q2JS9Q2H
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	0.320	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
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES Show InChI	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	16.5	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 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
University of Bologna					More data for this Ligand-Target Pair