BindingDB BDBM8963 CHEMBL32823::Homodimeric Tacrine Analog 3b::N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3b::Tacrine-Based Inhibitor 2f::tacrine homobivalent compound 3a

BDBM8963 CHEMBL32823::Homodimeric Tacrine Analog 3b::N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 3b::Tacrine-Based Inhibitor 2f::tacrine homobivalent compound 3a

SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12

InChI Key InChIKey=ITZOKHKOFJOBFS-UHFFFAOYSA-N

Data 9 KI 44 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 8963

Acetylcholinesterase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

BDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)

IC50: 0.810nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Cholinesterase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

BDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)

IC50: 5.70nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Beta-secretase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

BDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)

IC50: 7.50E+3nMAssay Description:Inhibition of recombinant human BACE-1 using fluorogenic substrate incubated for 30 mins by FRET assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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Amyloid-beta precursor protein(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

BDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)

IC50: 8.40E+3nMAssay Description:Inhibition of Amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T-based fluorometric assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Acetylcholinesterase(Rattus norvegicus (rat))
China Pharmaceutical University

Curated by ChEMBL

BDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)

IC50: 0.400nMAssay Description:Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 8 mins in presence of BuChE inhibitor ethopropazine by Ellma...More data for this Ligand-Target Pair

PDB MMDB KEGG
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B.MOAD GoogleScholar

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Filter my 55 hits

Targets 6▿
- Acetylcholinesterase 27
- Cholinesterase 14
- Carboxylic ester hydrolase 8
- Beta-secretase 1 3
- Amyloid-beta precursor protein 2
- Nitric oxide synthase, endothelial 1
- ...
Publications 29▿
- J Med Chem 51: 3154-70 (2008) 4
- J Med Chem 59: 114-31 (2016) 4
- Eur J Med Chem 46: 4336-43 (2011) 3
- Bioorg Med Chem 19: 2269-81 (2011) 2
- J Med Chem 50: 6446-9 (2007) 2
- Eur J Med Chem 181: (2019) 2
- Bioorg Med Chem Lett 9: 2335-8 (1999) 2
- J Med Chem 46: 1-4 (2002) 2
- Eur J Med Chem 62: 556-63 (2013) 2
- Bioorg Med Chem 27: 895-930 (2019) 2
- Bioorg Med Chem Lett 23: 6737-42 (2013) 2
- Bioorg Med Chem Lett 11: 1779-82 (2001) 2
- Eur J Med Chem 121: 758-772 (2016) 2
- J Med Chem 49: 5491-500 (2006) 2
- Bioorg Med Chem Lett 20: 3606-9 (2010) 2
- J Med Chem 48: 1919-29 (2005) 2
- J Med Chem 42: 4225-31 (1999) 2
- J Med Chem 45: 2277-82 (2002) 2
- Bioorg Med Chem 26: 5566-5577 (2018) 2
- J Med Chem 48: 3564-75 (2005) 1
- J Med Chem 55: 661-9 (2012) 1
- J Med Chem 61: 119-139 (2018) 1
- Eur J Med Chem 132: 294-309 (2017) 1
- Eur J Med Chem 63: 95-103 (2013) 1
- Eur J Med Chem 45: 1167-72 (2010) 1
- Eur J Med Chem 168: 491-514 (2019) 1
- Bioorg Med Chem Lett 61: (2022) 1
- Eur J Med Chem 138: 761-773 (2017) 1
- Eur J Med Chem 139: 378-389 (2017) 1
Institutions 21▿
- Universit£ 7
- Universidade Federal Do Rio Grande Do Sul 6
- China Pharmaceutical University 5
- Hong Kong University Of Science And Technology 4
- University Of Waterloo 4
- Universidad De Sevilla 3
- Institut F£R Molekulare Physiologie 3
- Institute Of Science 2
- National Defense Medical Center 2
- Universita Degli Studi Di Siena 2
- Universita Di Siena 2
- Csir-Central Drug Research Institute 2
- Bologna University 2
- Sun Yat-Sen University 2
- Alma Mater Studiorum-University Of Bologna 1
- Shaoxing University 1
- Chinese Academy Of Sciences 1
- Sichuan University 1
- Universitat De Barcelona 1
- University Of Ljubljana 1
- University Of Hradec Kralove 1
Affinity: 0.16 to 8.4E+3 nM▿
- Ki 9
- IC50 46
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1