BindingDB BDBM11682 2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate::Rivastigmine.tartrate::US9586925, Rivastigmine

BDBM11682 2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate::Rivastigmine.tartrate::US9586925, Rivastigmine

SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C

InChI Key InChIKey=XSVMFMHYUFZWBK-NSHDSACASA-N

Data 2 KI 112 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11682

Acetylcholinesterase(Homo sapiens (Human))TBA

BDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)

Ki: 700nMAssay Description:Binding affinity to AChE (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Acetylcholinesterase(Mus musculus (mouse))
University Institute Of Pharmaceutical Sciences

Curated by ChEMBL

BDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)

Ki: 5.68E+3nMAssay Description:Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans methodMore data for this Ligand-Target Pair

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

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KEGG PC cid PC sid Similars

Details Article PubMed

Filter my 115 hits

Targets 6▿
- Acetylcholinesterase 61
- Cholinesterase 47
- Carboxylic ester hydrolase 4
- Sodium-dependent serotonin transporter 1
- Amine oxidase [flavin-containing] B 1
- Acetylcholine receptor subunit epsilon 1
Publications 50▿
- Eur J Med Chem 187: (2020) 4
- Eur J Med Chem 223: (2021) 4
- Bioorg Med Chem 27: 895-930 (2019) 4
- Bioorg Med Chem Lett 60: (2022) 4
- J Med Chem 59: 7683-9 (2016) 4
- Eur J Med Chem 194: (2020) 4
- Bioorg Med Chem 35: (2021) 3
- J Med Chem 62: 8881-8914 (2019) 3
- Bioorg Med Chem 26: 6115-6127 (2018) 3
- Eur J Med Chem 197: (2020) 3
- Bioorg Med Chem Lett 77: (2022) 2
- Eur J Med Chem 231: (2022) 2
- Bioorg Med Chem 28: (2020) 2
- Eur J Med Chem 183: (2019) 2
- Eur J Med Chem 178: 726-739 (2019) 2
- RSC Med Chem 13: 944-954 (2022) 2
- J Med Chem 62: 9116-9140 (2019) 2
- Bioorg Med Chem Lett 30: (2020) 2
- Eur J Med Chem 107: 219-32 (2016) 2
- J Med Chem 65: 12292-12318 (2022) 2
- Eur J Med Chem 126: 823-843 (2017) 2
- Eur J Med Chem 125: 1200-1212 (2017) 2
- Eur J Med Chem 156: 598-617 (2018) 2
- Eur J Med Chem 126: 810-822 (2017) 2
- Eur J Med Chem 122: 557-573 (2016) 2
- Bioorg Med Chem 40: (2021) 2
- Eur J Med Chem 201: (2020) 2
- Bioorg Med Chem 28: (2020) 2
- Bioorg Med Chem 28: (2020) 2
- Eur J Med Chem 200: (2020) 2
- Eur J Med Chem 222: (2021) 2
- Eur J Med Chem 119: 260-77 (2016) 2
- Eur J Med Chem 181: (2019) 2
- Eur J Med Chem 210: (2021) 2
- Bioorg Med Chem 25: 360-371 (2017) 2
- J Med Chem 59: 6387-406 (2016) 2
- J Med Chem 61: 119-139 (2018) 2
- Eur J Med Chem 167: 510-524 (2019) 2
- Eur J Med Chem 166: 90-107 (2019) 2
- Bioorg Med Chem 25: 1352-1363 (2017) 2
- US Patent US9586925 (2017) 2
- Bioorg Med Chem Lett 26: 2035-9 (2016) 1
- Bioorg Med Chem Lett 26: 1624-8 (2016) 1
- Eur J Med Chem 230: (2022) 1
- Bioorg Med Chem 25: 1030-1041 (2017) 1
- Bioorg Med Chem 26: 3731-3762 (2018) 1
- Eur J Med Chem 168: 207-220 (2019) 1
- Eur J Med Chem 225: (2021) 1
- Eur J Med Chem 141: 232-239 (2017) 1
- J Med Chem 49: 5051-8 (2006) 1
- ...
Institutions 40▿
- Nanyang Normal University 14
- Anhui Medical University 8
- Sichuan University 5
- The University of Queensland 4
- Indian Institute Of Technology (Banaras Hindu University) 4
- University of Ljubljana 4
- Csir-Central Drug Research Institute 4
- Guizhou Medical University 4
- China Pharmaceutical University 3
- University Of Ljubljana 3
- Julius Maximilian University W£Rzburg 2
- Nobel IlaÇ 2
- University Institute Of Pharmaceutical Sciences 2
- Mansoura University 2
- Jamia Millia Islamia (Central University) 2
- Yeditepe University 2
- South China University Of Technology 2
- Normandie Univ 2
- Tehran University of Medical Sciences 2
- Agri Ibrahim Cecen University 2
- Northwest A&F University 2
- Bezmialem Vakif University 2
- University Of Waterloo 2
- Hu'Nan University 2
- Jinan University 2
- Instituto De Qu£Mica M£Dica (Csic) 2
- Julius Maximilian University Of W�Rzburg 2
- Alma Mater Studiorum-University Of Bologna 2
- The Behrend College 2
- Hebei University 2
- Yogi Vemana University 2
- Shanghai Jiao Tong University (Sjtu) 2
- Indian Institute of Technology (Banaras Hindu University) 2
- Henan University 2
- University Of British Columbia 1
- Abbottabad University of Science and Technology 1
- University of Pisa 1
- Chinese Academy of Medical Sciences and Peking Union Medical College 1
- Jagiellonian University Medical College 1
- Istituto Di Cristallografia 1
- ...
Affinity: 14 to 2.8E+5 nM▿
- Ki 2
- IC50 112
- Kd 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1