null

SMILES: C[n+]1ccccc1CN=O

InChI Key: InChIKey=MHOAUIZFSQGCNM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50011780   

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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Mus musculus-MOUSE)	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Choline O-acetyltransferase (RAT)	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of Human AchE				J Med Chem 29: 1689-96 (1986) BindingDB Entry DOI: 10.7270/Q2TH8N8Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Reversible inhibition of acetylcholinesterase(AChE) by 50 % in human erythrocytes				J Med Chem 32: 504-16 (1989) BindingDB Entry DOI: 10.7270/Q2W9586P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description In vitro concentration of compound required for reversibly inhibiting 50% of human anticholinesterase activity				J Med Chem 34: 1363-8 (1991) BindingDB Entry DOI: 10.7270/Q2V40VSD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro reversible inhibition of eel acetylcholinesterase.				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	8.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	8.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by modified Ellman's method				Bioorg Med Chem 19: 754-62 (2011) Article DOI: 10.1016/j.bmc.2010.12.021 BindingDB Entry DOI: 10.7270/Q2P2703H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	9.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE assessed as decrease in enzyme activity incubated for 30 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113286 BindingDB Entry DOI: 10.7270/Q2ZP49VN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro reversible inhibition of eel acetylcholinesterase.				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	1.19E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman m...				Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	1.21E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research& Development Establishment Curated by ChEMBL					Assay Description Inhibition of hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellma...				Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	7.06E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	3.16E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a
Defence Research& Development Establishment Curated by ChEMBL					Assay Description Binding affinity to sarin-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectro...				Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a
Defence Research& Development Establishment Curated by ChEMBL					Assay Description Binding affinity to VX-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectropho...				Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Binding affinity to VX-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up ...				Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured ...				Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Binding affinity to AChE in rat brain homogenate				J Med Chem 54: 3319-30 (2011) Article DOI: 10.1021/jm200054r BindingDB Entry DOI: 10.7270/Q25D8S9W
					More data for this Ligand-Target Pair