Found 5 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Acetylcholinesterase
(542/543 > 99%)† (Mus musculus (mouse)) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 460 | -36.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mayo Clinic College of Medicine
| Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we... |
Biochemistry 52: 7486-99 (2013)
Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(542/543 > 99%)† (Mus musculus (mouse)) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Binding affinity to mouse AChE |
J Med Chem 51: 3154-70 (2008)
Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(480/543 = 88%)† (Homo sapiens (Human)) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 6.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of human AChE |
J Med Chem 51: 3154-70 (2008)
Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(480/543 = 88%)† (Homo sapiens (Human)) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie des Substances Naturelles
Curated by ChEMBL
| Assay Description Inhibition of acetylcholine esterase (unknown origin) |
Bioorg Med Chem 22: 4474-89 (2014)
Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(480/543 = 88%)† (Homo sapiens (Human)) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem 16: 2968-73 (2008)
Article DOI: 10.1016/j.bmc.2007.12.048 BindingDB Entry DOI: 10.7270/Q27S7PMQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |