ChEMBL ligand: CHEMBL1547 (Betaxin, Thiamine, Vitamin B 1)
heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900] There should be some charts here, you may need to enable JavaScript!
Thiamine transporter ThiT in Lactococcus lactis subsp. cremoris (strain MG1363) [ChEMBL: CHEMBL4295631] [UniProtKB: A2RI47] There should be some charts here, you may need to enable JavaScript!

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 [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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]