Download all the datasets of Host-Guest systems in BindingDB:  
BindingDB_HostGuest_2D_202402_sdf.zip
BindingDB_HostGuest_3D_202402_sdf.zip
BindingDB_HostGuest_202402_tsv.zip

  1. PMID
    Data
    Article Title
    Citation
    Organization
    Files Download
  2. Overview of the SAMPL5 host-guest challenge: Are we doing better?BDB
    J Comput Aided Mol Des 31: 1-19 (2016)
    University of California San Diego
    2D 3D  TSV
  3. The SAMPL4 host-guest blind prediction challenge: an overview.BDB
    J Comput Aided Mol Des 28: 305-17 (2014)
    University of California San Diego
    2D 3D  TSV
  4. Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.BDB
    J Comput Aided Mol Des 26: 475-87 (2012)
    University of California San Diego
    2D 3D  TSV
  5. Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution.BDB
    Chemistry 16: 13716-22 (2010)
    University of Cambridge
    2D 3D  TSV
  6. Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system.BDB
    J Phys Chem B 114: 8606-15 (2010)
    University of Cambridge
    2D 3D  TSV
  7. Complexation of ferrocene derivatives by the cucurbit[7]uril host: a comparative study of the cucurbituril and cyclodextrin host families.BDB
    J Am Chem Soc 127: 12984-9 (2005)
    University of Miami
    2D 3D  TSV
  8. Rigid duplex alpha-cyclodextrin reversibly connected with disulfide bonds. Synthesis and inclusion complexes.BDB
    J Org Chem 74: 1082-92 (2009)
    Institute of Organic Chemistry and Biochemistry AS CR
    2D 3D  TSV
  9. Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers.BDB
    J Org Chem 69: 173-80 (2004)
    Nankai University
    2D 3D  TSV
  10.  
    Calorimetric Studies on the Complexation of Several Ferrocene Derivatives by .alpha.- and .beta.-Cyclodextrin. Effects of Urea on the Thermodynamic ParametersBDB
    J Phys Chem 99: 17449-55 (1995)
    University of Miami
    2D  3D TSV
  11.  
    Host properties of cyclodextrins towards anion constituents of antigenic determinants. A thermodynamic study in water and in N,N-dimethylformamideBDB
    J Am Chem Soc 112: 8442-7 (1990)
    University of Surrey
    2D  3D TSV
  12. Thermodynamic and kinetic characterization of host-guest association between bolaform surfactants and alpha- and beta-cyclodextrins.BDB
    J Phys Chem B 112: 11310-6 (2008)
    Lund University
    2D 3D  TSV
  13. Effect of beta-cyclodextrin charge type on the molecular recognition thermodynamics of reactions with (ferrocenylmethyl)dimethylaminium derivatives.BDB
    J Phys Chem B 112: 1445-50 (2008)
    Nankai University
    2D 3D  TSV
  14. Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives.BDB
    J Phys Chem B 109: 9719-26 (2005)
    Universidade de Santiago de Compostela
    2D 3D  TSV
  15. Novel behavior of O-methylated beta-cyclodextrins in inclusion of meso-tetraarylporphyrins.BDB
    J Org Chem 70: 3667-73 (2005)
    Doshisha University
    2D 3D  TSV
  16. Complexation and chiral recognition thermodynamics of gamma-cyclodextrin with N-acetyl- and N-carbobenzyloxy-dipeptides possessing two aromatic rings.BDB
    J Org Chem 68: 5228-35 (2003)
    Japan Science and Technology Agency
    2D 3D  TSV
  17.  
    Cyclodextrin Inclusion Complexes: Studies of the Variation in the Size of Alicyclic GuestsBDB
    J Am Chem Soc 111: 6765-72 (1989)
    University of Mississippi
    2D  3D TSV
  18.  
    Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic AlcoholsBDB
    J Phys Chem B 101: 87-100 (1997)
    NIST
    2D  3D TSV
  19. Solvent and guest isotope effects on complexation thermodynamics of alpha-, beta-, and 6-amino-6-deoxy-beta-cyclodextrins.BDB
    J Am Chem Soc 124: 12361-71 (2002)
    Japan Science and Technology Agency
    2D 3D  TSV
  20.  
    Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-CyclodextrinsBDB
    J Phys Chem B 107: 14130 (2003)
    Nankai University
    2D  3D TSV
  21. Diastereomeric molecular recognition and binding behavior of bile acids by L/D-tryptophan-modified beta-cyclodextrins.BDB
    J Org Chem 70: 8703-11 (2005)
    Nankai University
    2D 3D  TSV
  22.  
    A Thermodynamic Study of the Reactions of Cyclodextrins with Primary and Secondary Aliphatic Alcohols, with D- and L-Phenylalanine, and with L-Phenylalanine AmideBDB
    J Phys Chem 98: 10282-10288 (1994)
    NIST
    2D  3D TSV
  23.  
    Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalenesulfonates with .alpha.-, .beta.-, and .gamma.-cyclodextrins: enthalpy-entropy compensationBDB
    J Am Chem Soc 115: 475-481 (1993)
    Himeji Institute of Technology
    2D  3D TSV
  24. Thermodynamics of hydrogen bond and hydrophobic interactions in cyclodextrin complexes.BDB
    Biophys J 71: 2144-54 (1996)
    NIH
    2D 3D  TSV
  25.  
    Critical Difference in Chiral Recognition of N-Cbz-d/l-aspartic and -glutamic Acids by Mono- and Bis(Trimethylammonio)-β-cyclodextrinsBDB
    J Am Chem Soc 123: 5360-5361 (2000)
    Nagoya Institute of Technology
    2D  3D TSV
  26. Complexation and chiral recognition thermodynamics of 6-amino-6-deoxy-beta-cyclodextrin with anionic, cationic, and neutral chiral guests: counterbalance between van der Waals and coulombic interactions.BDB
    J Am Chem Soc 124: 813-26 (2002)
    Japan Science and Technology Agency
    2D 3D  TSV
  27. Factors controlling the complex architecture of native and modified cyclodextrins with dipeptide (Z-Glu-Tyr) studied by microcalorimetry and NMR spectroscopy: critical effects of peripheral bis-trimethylamination and cavity size.BDB
    J Am Chem Soc 126: 14224-33 (2004)
    Nagoya Institute of Technology
    2D 3D  TSV
  28.  
    Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation EffectBDB
    J Am Chem Soc 122: 4418-35 (2000)
    Japan Science and Technology Agency
    2D  3D TSV
  29.  
    Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related SubstancesBDB
    J Am Chem Soc 117: 8830-40 (1995)
    NIST
    2D  3D TSV
  30.  
    THERMODYNAMIC AND NMR STUDY OF THE INTERACTIONS OF CYCLODEXTRINS WITH CYCLOHEXANE DERIVATIVESBDB
    J Phys Chem 98: 4098-4103 (1994)
    National Institute of Standards and Technology
    2D  3D TSV

BDB Curated by BindingDB
EBI Curated by ChEBI
Click to download all the rows in HostGuest.tsv.