BindingDB BDBM50004000 (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate::Antilirium::CHEMBL94::Eserine::Physostol::physostigmine

BDBM50004000 (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate::Antilirium::CHEMBL94::Eserine::Physostol::physostigmine

SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1

InChI Key InChIKey=PIJVFDBKTWXHHD-HIFRSBDPSA-N

Data 4 KI 128 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004000

Acetylcholinesterase(Homo sapiens (Human))
Universidad Nacional De Rosario

Curated by ChEMBL

BDBM50004000((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)

IC50: 30nMAssay Description:Inhibitory concentration against acetylcholinesteraseMore data for this Ligand-Target Pair

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Details Article PubMed DrugBank

Filter my 132 hits

Targets 5▿
- Acetylcholinesterase 81
- Cholinesterase 38
- Carboxylic ester hydrolase 9
- Muscarinic acetylcholine receptor M2 2
- Muscarinic acetylcholine receptor M1 2
Publications 50▿
- J Med Chem 33: 2311-9 (1990) 10
- Bioorg Med Chem Lett 8: 575-80 (1999) 5
- ACS Med Chem Lett 3: 914-919 (2012) 4
- J Med Chem 35: 1102-8 (1992) 4
- J Med Chem 35: 3141-7 (1992) 4
- Bioorg Med Chem Lett 2: 861-864 (1992) 3
- Bioorg Med Chem Lett 51: (2021) 2
- Bioorg Med Chem 20: 4901-14 (2012) 2
- Eur J Med Chem 81: 15-21 (2014) 2
- J Med Chem 53: 1190-9 (2010) 2
- Eur J Med Chem 229: (2022) 2
- Bioorg Med Chem 23: 6014-24 (2015) 2
- J Med Chem 38: 4821-9 (1996) 2
- J Med Chem 59: 2067-82 (2016) 2
- Bioorg Med Chem 20: 2595-602 (2012) 2
- Bioorg Med Chem 22: 3341-50 (2014) 2
- Bioorg Med Chem 22: 5020-34 (2014) 2
- Eur J Med Chem 138: 396-406 (2017) 2
- J Med Chem 51: 6400-9 (2008) 2
- J Nat Prod 64: 842-4 (2001) 2
- J Med Chem 37: 2721-34 (1994) 2
- J Med Chem 38: 2802-8 (1995) 2
- J Med Chem 38: 1084-9 (1995) 2
- Bioorg Med Chem 18: 4687-93 (2011) 2
- J Med Chem 48: 986-94 (2005) 2
- Eur J Med Chem 240: (2022) 2
- Bioorg Med Chem Lett 16: 5840-3 (2006) 2
- J Med Chem 40: 2895-901 (1997) 2
- J Nat Prod 82: 2627-2637 (2019) 2
- Bioorg Med Chem 18: 2173-7 (2010) 2
- J Nat Prod 82: 2489-2500 (2019) 2
- Bioorg Med Chem Lett 20: 1721-3 (2010) 2
- Bioorg Med Chem 24: 4464-4469 (2016) 2
- Bioorg Med Chem Lett 26: 3785-92 (2016) 2
- J Med Chem 35: 4542-8 (1993) 2
- Bioorg Med Chem Lett 20: 1532-4 (2010) 2
- Bioorg Med Chem Lett 20: 1718-20 (2010) 2
- Bioorg Med Chem Lett 2: 871-876 (1992) 2
- J Nat Prod 83: 1359-1367 (2020) 2
- J Nat Prod 66: 739-42 (2003) 2
- J Med Chem 44: 105-9 (2001) 2
- J Med Chem 40: 4360-71 (1998) 1
- Eur J Med Chem 180: 656-672 (2019) 1
- Bioorg Med Chem Lett 15: 2711-5 (2005) 1
- J Med Chem 39: 5064-71 (1997) 1
- J Med Chem 37: 1996-2000 (1994) 1
- J Med Chem 37: 689-95 (1994) 1
- Bioorg Med Chem 26: 1511-1522 (2018) 1
- J Nat Prod 83: 1424-1431 (2020) 1
- J Med Chem 32: 1522-8 (1989) 1
- ...
Institutions 37▿
- Niddk 10
- TBA 9
- Pfizer 7
- National Institute On Aging 6
- Istituto Di Strutturistica Chimica G. Giacomello 5
- Kyoto University 4
- University Of South Carolina 4
- Lanzhou University 4
- Trinity College 4
- University Of The Punjab 4
- University of South Carolina 4
- Eisai 4
- University Of Malaya 4
- Charles University 2
- Universit£T W£Rzburg 2
- Universidad Nacional Del Sur 2
- Meiji Pharmaceutical University 2
- Graduate School Of Gyeongsang National University 2
- University Of W£Rzburg 2
- Tribhuvan University 2
- University Of Karachi 2
- Institute For Natural Products Applications And Research Technologies 2
- University Of Bologna 2
- Institute Of Plant Biochemistry 2
- Universidad Nacional Aut£Noma De M£Xico 2
- University Of Defence 2
- Zhejiang University 2
- Universit£T Regensburg 2
- Friedrich-Schiller-UniversitäT Jena 2
- University Of North Carolina 1
- Wuhan Institute Of Technology 1
- Universidad Nacional De Rosario 1
- Prin. K. M. Kundnani College Of Pharmacy 1
- Centre De Recherche Pierre Fabre MéDicament 1
- Institute Of Research 1
- Harvard University 1
- Universidad Aut£Noma Del Estado De Morelos 1
- ...
Affinity: 0.43 to 1.6E+5 nM▿
- Ki 4
- IC50 128
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1