BindingDB

null

SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12

InChI Key InChIKey=ITZOKHKOFJOBFS-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8963

Acetylcholinesterase(Rattus norvegicus (rat))
Universidade Federal do Rio Grande do Sul

Curated by ChEMBL

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

IC50: 5.30nMAssay Description:Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's methodMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2X92D8DPubMed

Cholinesterase(Homo sapiens (Human))
Universidade Federal do Rio Grande do Sul

Curated by ChEMBL

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

IC50: 38nMAssay Description:Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's methodMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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BindingDB Entry DOI: 10.7270/Q2X92D8DPubMed

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 28 ▿
- 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
- Eur J Med Chem 138: 761-773 (2017) 1
- Eur J Med Chem 139: 378-389 (2017) 1
Institutions 20 ▿
- [Universit£ di Siena] 7
- [Universidade Federal do Rio Grande do Sul] 6
- [China Pharmaceutical University] 5
- [University of Waterloo, Hong Kong University of Science and Technology] 4
- [University of Waterloo, Hong Kong University of Science and Technology] 4
- [Institut f£r Molekulare Physiologie, Universidad de Sevilla] 3
- [Institut f£r Molekulare Physiologie, Universidad de Sevilla] 3
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [National Defense Medical Center, Institute of Science, CSIR-Central Drug Research Institute, Universita degli Studi di Siena, Sun Yat-sen University, Universita di Siena, Bologna University] 2
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
- [Chinese Academy of Sciences, University of Hradec Kralove, Alma Mater Studiorum-University of Bologna, Sichuan University, Universitat de Barcelona, University of Ljubljana ] 1
Affinity: 0.16 to 8.4E+3 nM▿
- Ki 9
- IC50 46
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1