BindingDB PrimarySearch

Found 14 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50020522'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human recombinant AChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric method				J Med Chem 61: 10753-10766 (2018) Article DOI: 10.1021/acs.jmedchem.8b01398 BindingDB Entry DOI: 10.7270/Q2HD7Z9P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.29E+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 phosphonylation of Eel acetylcholinesterase (AChE)				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.90E+4	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
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.26E+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
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+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
University of Defence Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.60E+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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+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
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40E+4	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
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair