null

SMILES: CC(=O)OCC[N+](C)(C)C

InChI Key: InChIKey=OIPILFWXSMYKGL-UHFFFAOYSA-N

PDB links: 21 PDB IDs match this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 156 hits for monomerid = 10759   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...				ACS Med Chem Lett 10: 941-948 (2019) Article DOI: 10.1021/acsmedchemlett.9b00106 BindingDB Entry DOI: 10.7270/Q2GM8BJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M1 receptor expressed in HEK293T cells co-expressing Galpha subunit and PLC-beta3 by split luciferase complement...				J Med Chem 62: 3009-3020 (2019) Article DOI: 10.1021/acs.jmedchem.8b01822 BindingDB Entry DOI: 10.7270/Q2668HG2
					More data for this Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3 (Pig roundworm)	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a
Iowa State University Research Foundation, Inc. US Patent					Assay Description Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...				US Patent US10667515 (2020) BindingDB Entry DOI: 10.7270/Q23N26DQ
					More data for this Ligand-Target Pair