BDBM9426 CHEMBL258928::Heterodimeric Tacrine-Based Inhibitor 5g::N-(8-aminooctyl)-1,2,3,4-tetrahydroacridin-9-amine dihydrochloride::N-9-(1,2,3,4-Tetrahydroacridinyl)-1,8-diamino-octane Bis-hydrochloride
SMILES: NCCCCCCCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=LFBAUYQQFKFFCF-UHFFFAOYSA-N
Data: 8 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
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Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 89.4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Hong Kong University of Science and Technology | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 42: 4225-31 (1999) Article DOI: 10.1021/jm990224w BindingDB Entry DOI: 10.7270/Q2W957CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of AChE | Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibition of equine BChE by Ellman's assay | Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method | J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of rat 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 | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibition of electric eel AchE by Ellman's assay | Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM9426 (CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method | J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7 | |||||||||||
More data for this Ligand-Target Pair |