Found 3 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
(479/541 = 89%)† (Homo sapiens (Human)) | BDBM50149891
(2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 3.70E+4 | 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
(479/541 = 89%)† (Homo sapiens (Human)) | BDBM50149891
(2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 2.11E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human Acetylcholinesterase |
J Med Chem 50: 5685-95 (2007)
Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(487/541 = 90%)† (Bos taurus (bovine)) | BDBM50149891
(2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...)Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.76E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of bovine 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) |