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ChEMBL ligand: CHEMBL1547 (Betaxin, Thiamine, Vitamin B 1) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 [PMID:30108823] |
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 [PMID:30108823] |
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 [PMID:30108823] |
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 [PMID:30108823] |
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 [PMID:30108823] |
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 [PMID:30108823] |
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 [PMID:30108823] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]