thiamine [Ligand Id: 4629] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1547 (Betaxin, Vitamin B 1, Thiamine)
  • heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900]
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  • Thiamine transporter ThiT in Lactococcus lactis subsp. cremoris (strain MG1363) [ChEMBL: CHEMBL4295631] [UniProtKB: A2RI47]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900]
ChEMBL Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method B 4.9 pIC50 12500 nM IC50 Med Chem Res (2012) 21: 487-510
Thiamine transporter ThiT in Lactococcus lactis subsp. cremoris (strain MG1363) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295631] [UniProtKB: A2RI47]
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT Glu84Gln mutant expressed in Lactococcus lactis NZ9000 by isothermal calorimetric titration method B 4.87 pKd 13600 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT Glu84Ala mutant expressed in Lactococcus lactis NZ9000 by isothermal calorimetric titration method B 5.44 pKd 3650 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT His125Ala mutant expressed in Lactococcus lactis NZ9000 by isothermal calorimetric titration method B 7.83 pKd 14.9 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT His125Asn mutant expressed in Lactococcus lactis NZ9000 by isothermal calorimetric titration method B 7.87 pKd 13.6 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT Glu84Asp mutant expressed in Lactococcus lactis NZ9000 by isothermal calorimetric titration method B 8.66 pKd 2.21 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to Lactococcus lactis MG1363 N-terminal His8-tagged ThiT Trp34Ala mutant expressed in Lactococcus lactis NZ9000 incubated for 5 secs measured over 20 secs by fluorescence spectrophotometric method B 9.46 pKd 0.35 nM Kd MedChemComm (2017) 8: 1121-1130
ChEMBL Binding affinity to wild-type Lactococcus lactis MG1363 N-terminal His8-tagged ThiT expressed in Lactococcus lactis NZ9000 incubated for 10 secs measured over 15 secs by fluorescence spectrophotometric method B 9.91 pKd 0.12 nM Kd MedChemComm (2017) 8: 1121-1130

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]