BindingDB BDBM29278 CHEMBL310671::Garantose::SAC::Saccharimide::Saccharin

BDBM29278 CHEMBL310671::Garantose::SAC::Saccharimide::Saccharin

SMILES O=C1NS(=O)(=O)c2ccccc12

InChI Key InChIKey=CVHZOJJKTDOEJC-UHFFFAOYSA-N

Data 109 KI 3 IC50

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29278

Cholinesterase(Homo sapiens (Human))
University Of Massachusetts Boston

Curated by ChEMBL

BDBM29278(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)

IC50: 3.60E+3nMAssay Description:Inhibition of BuChE (unknown origin) assessed as reduction in S-butyrylthiocholine chloride hydrolysis after 15 mins by Ellman methodMore data for this Ligand-Target Pair

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Filter my 112 hits

Targets 18▿
- Carbonic anhydrase 2 35
- Carbonic anhydrase 1 29
- Carbonic anhydrase 9 11
- Carbonic anhydrase 10
- Carbonic anhydrase 12 9
- Carbonic anhydrase 7 4
- Carbonic anhydrase 6 2
- Carbonic anhydrase 4 2
- Carbonic anhydrase 14 1
- Protein arginine N-methyltransferase 1 [11-371] 1
- Carbonic anhydrase, alpha family 1
- Beta-carbonic anhydrase 1 1
- Delta carbonic anhydrase 1
- Carbonic anhydrase 5A, mitochondrial 1
- Carbonic anhydrase 3 1
- Cholinesterase 1
- Carbonic anhydrase 5B, mitochondrial 1
- RmtA 1
- ...
Publications 40▿
- J Med Chem 59: 6547-52 (2016) 10
- J Med Chem 57: 3522-31 (2014) 10
- J Med Chem 63: 321-333 (2020) 6
- Bioorg Med Chem Lett 21: 710-4 (2011) 5
- Bioorg Med Chem 25: 3583-3589 (2017) 4
- J Med Chem 61: 1176-1181 (2018) 4
- Bioorg Med Chem Lett 26: 401-5 (2016) 4
- Bioorg Med Chem 22: 1821-31 (2014) 4
- Bioorg Med Chem Lett 18: 836-41 (2008) 4
- Bioorg Med Chem 24: 1095-105 (2016) 4
- Bioorg Med Chem 23: 2303-9 (2015) 3
- Bioorg Med Chem 17: 1158-63 (2009) 3
- Bioorg Med Chem 21: 1522-5 (2013) 3
- Bioorg Med Chem 20: 1403-10 (2012) 3
- Bioorg Med Chem 17: 5054-8 (2009) 3
- Bioorg Med Chem 18: 5498-503 (2010) 2
- Bioorg Med Chem Lett 19: 6649-54 (2009) 2
- Bioorg Med Chem 19: 5023-30 (2011) 2
- Bioorg Med Chem 23: 1728-34 (2015) 2
- J Med Chem 56: 1761-71 (2013) 2
- ACS Med Chem Lett 9: 657-661 (2018) 2
- Bioorg Med Chem 21: 1534-8 (2013) 2
- Bioorg Med Chem Lett 26: 1821-6 (2016) 2
- Bioorg Med Chem 17: 4503-9 (2009) 2
- Bioorg Med Chem 24: 1115-20 (2016) 2
- Bioorg Med Chem Lett 27: 490-495 (2017) 2
- J Med Chem 55: 10742-8 (2012) 2
- Bioorg Med Chem 22: 2939-46 (2014) 2
- Bioorg Med Chem 19: 1847-51 (2011) 2
- Bioorg Med Chem Lett 25: 5485-9 (2015) 2
- Bioorg Med Chem 22: 4537-43 (2014) 2
- J Med Chem 50: 1241-53 (2007) 2
- Bioorg Med Chem 15: 7229-36 (2007) 1
- Bioorg Med Chem Lett 24: 275-9 (2013) 1
- Bioorg Med Chem 20: 2208-13 (2012) 1
- J Med Chem 52: 2226-32 (2009) 1
- Bioorg Med Chem Lett 25: 626-30 (2015) 1
- Bioorg Med Chem Lett 25: 3550-5 (2015) 1
- J Med Chem 52: 3116-20 (2009) 1
- Bioorg Med Chem Lett 26: 1253-9 (2016) 1
Institutions 19▿
- Universit£ 29
- Griffith University 10
- Centre Scientifique De Monaco 8
- Kochi Medical School 7
- University Of Florida 6
- Sapienza University Of Rome 6
- University Of Florence 6
- Balikesir University 6
- University Of Tampere And Tampere University Hospital 5
- Latvian Institute Of Organic Synthesis 4
- Ecole Nationale Sup£Rieure De Chimie De Montpellier 4
- University Of Chieti-Pescara 4
- Istituto Di Biochimica Delle Proteine-Cnr 4
- Slovak Academy Of Sciences 3
- Agri Ibrahim Cecen University 3
- Recep Tayyip Erdogan University 2
- Universite Degli Studi Di Firenze 2
- Istituto Di Bioscienze E Biorisorse 2
- University Of Massachusetts Boston 1
Affinity: 10 to 1.0E+6 nM▿
- Ki 109
- IC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1