BDBM9053 6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1,2,3,4-tetrahydroacridin-9-amine::Hexylene-Linked Bis-(6-chloro)tacrine::Homodimeric Tacrine Analog 3g
SMILES: Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
InChI Key: InChIKey=IXRJZUFMXJZPOC-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 |
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Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM9053 (6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | 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 | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM9053 (6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Pharmacy and Food Chemistry, Julius-Maximilians-University of Würzburg, Am Hubland, 97074 Würzburg, Germany. Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by spectrofluorometric analysis | Bioorg Med Chem 25: 4526-4531 (2017) Article DOI: 10.1016/j.bmc.2017.06.051 BindingDB Entry DOI: 10.7270/Q2KK9F9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM9053 (6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | 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 | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM9053 (6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 312 | 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 |