ChEMBL ligand: CHEMBL3661115 (Pimitespib, Tas 116, Tas-116, TAS-116)
heat shock protein 90 beta family member 1/Endoplasmin in Human [ChEMBL: CHEMBL1075323] [GtoPdb: 2904] [UniProtKB: P14625] There should be some charts here, you may need to enable JavaScript!
TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931] There should be some charts here, you may need to enable JavaScript!
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!
heat shock protein 90 alpha family class B member 1/Heat shock protein HSP 90-beta in Human [ChEMBL: CHEMBL4303] [GtoPdb: 2907] [UniProtKB: P08238] 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 beta family member 1/Endoplasmin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075323] [GtoPdb: 2904] [UniProtKB: P14625]
ChEMBL	Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human GRP94 expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay	B	4.3	pKi	>50000	nM	Ki	J Med Chem (2020) 63: 1798-1822 [PMID:31663736]
ChEMBL	Binding affinity to GRP94 (unknown origin) by fluorescence polarization competitive binding assay	B	4.3	pKi	>50000	nM	Ki	J Med Chem (2021) 64: 2669-2677 [PMID:33621080]
TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931]
ChEMBL	Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human TRAP1 (60 to 704 residues) expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay	B	4.3	pKi	>50000	nM	Ki	J Med Chem (2020) 63: 1798-1822 [PMID:31663736]
ChEMBL	Binding affinity to TRAP1 (unknown origin) by fluorescence polarization competitive binding assay	B	4.3	pKi	>50000	nM	Ki	J Med Chem (2021) 64: 2669-2677 [PMID:33621080]
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	Binding affinity to human HSP90-alpha N-terminal domain assessed as dissociation constant at 100 uM at 25 degC by isothermal titration calorimetry	B	6.77	pKd	170	nM	Kd	J Med Chem (2021) 64: 2669-2677 [PMID:33621080]
ChEMBL	Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay	B	7.46	pKi	34.7	nM	Ki	J Med Chem (2020) 63: 1798-1822 [PMID:31663736]
ChEMBL	Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs followed by FITC-GDA addition and measured after 5 hrs by fluorescence polarization competitive binding assay	B	7.46	pKi	34.7	nM	Ki	J Med Chem (2021) 64: 2669-2677 [PMID:33621080]
ChEMBL	AlphaScreen Competitive Assay: The HSP90-binding activity was measured by an AlphaScreen competitive assay system. The purified HSP90 solution was diluted with a binding buffer (50 mM Tris-HCl (pH 7.5), 150 mM NaCl, 0.1% Triton-X100, 1 mM DTT, 0.1% BSA) and added to a 384-well plate (No. 3673, Corning Incorporated) containing test substances. After reaction at room temperature for 2 hr, biotin-labeled geldanamycin was added to each reaction solution in an amount of 40 nM, followed by reaction for further 1 hr. Detection mix (20 mM HEPES-KOH (pH 7.5), 0.5% BSA, 0.04 mg/mL Nickel Chelate Acceptor beads, 0.04 mg/mL Streptavidin-coated Donor beads) (No. 6760619C, Perkin Elmer, Inc.) was added to each well in the same amount as that of the reaction solution. After reaction in a dark place at room temperature for 1 hr, the fluorescence intensity in each well was measured with a multilabel plate reader, EnVision (Perkin Elmer, Inc.).	B	6.68	pIC50	210	nM	IC50	US-8779142-B2. Azabicyclo compound and salt thereof (2014)
ChEMBL	Displacement of biotin-labeled geldanamycin from His-tagged HSP90alpha NTD (unknown origin) preincubated for 2 hrs followed by biotin-labeled geldanamycin addition and measured after 1 hr by AlphaScreen assay	B	7.16	pIC50	69	nM	IC50	J Med Chem (2019) 62: 531-551 [PMID:30525599]
heat shock protein 90 alpha family class B member 1/Heat shock protein HSP 90-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4303] [GtoPdb: 2907] [UniProtKB: P08238]
ChEMBL	Inhibition of FITC-geldanamycin binding to recombinant human HSP90beta expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay	B	7.67	pKi	21.3	nM	Ki	J Med Chem (2020) 63: 1798-1822 [PMID:31663736]
ChEMBL	Binding affinity to human HSP90-beta by fluorescence polarization competitive binding assay	B	7.67	pKi	21.3	nM	Ki	J Med Chem (2021) 64: 2669-2677 [PMID:33621080]

ChEMBL data shown on this page come from version 35:

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]