BDBM9047 Bis-THA inhibitor 5::CHEMBL73800::Hexylene-Linked Bis-tacrine::Homodimeric Tacrine Analog 3a::N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILES: C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=IYNUCVAQGDCTFO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 7.4 | 37 |
National Defense Medical Center | 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 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
National Defense Medical Center | 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 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80 | 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... | Bioorg Med Chem 7: 351-7 (1999) Article DOI: 10.1016/s0968-0896(98)00213-2 BindingDB Entry DOI: 10.7270/Q2T43R9Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40 | 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 | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science Curated by ChEMBL | Assay Description Inhibition of rat serum BuChE | J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science Curated by ChEMBL | Assay Description Inhibition of rat brain AChE | J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 119 | 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... | Bioorg Med Chem 7: 351-7 (1999) Article DOI: 10.1016/s0968-0896(98)00213-2 BindingDB Entry DOI: 10.7270/Q2T43R9Q | |||||||||||
More data for this Ligand-Target Pair |