BindingDB PrimarySearch

BDBM10951 (2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-10-yl N-methylcarbamate::Conformationally Restricted Rivastigmine Analogue 3

SMILES: [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1OC2

InChI Key: InChIKey=UKFCIGJAJAIROZ-CABZTGNLSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 10951
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))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	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	30	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. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 47: 5945-52 (2004) Article DOI: 10.1021/jm049782n BindingDB Entry DOI: 10.7270/Q2668BD3
University of Bologna					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.4	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. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 47: 5945-52 (2004) Article DOI: 10.1021/jm049782n BindingDB Entry DOI: 10.7270/Q2668BD3
University of Bologna					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in human erythrocytes				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in human erythrocytes				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in human erythrocytes				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against butyrylcholinesterase (BChE) in human erythrocyte				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against butyrylcholinesterase (BChE) in human erythrocyte				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10951 ((2S,6R)-3-methyl-8-oxa-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibitory activity against butyrylcholinesterase (BChE) in human erythrocyte				J Med Chem 44: 105-9 (2001) BindingDB Entry DOI: 10.7270/Q2NG4RX2
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair