compound 18c [PMID: 25901531] [Ligand Id: 9227] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3426781
  • heat shock protein 90 beta family member 1/Endoplasmin in Human [ChEMBL: CHEMBL1075323] [GtoPdb: 2904] [UniProtKB: P14625]
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  • TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931]
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  • 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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  • heat shock protein 90 alpha family class B member 1/Heat shock protein HSP 90-beta in Human [ChEMBL: CHEMBL4303] [GtoPdb: 2907] [UniProtKB: P08238]
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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 Binding affinity to Grp94 (unknown origin) by fluorescent polarization assay B 6.66 pKd 220 nM Kd Eur J Med Chem (2021) 223: 113604-113604 [PMID:34174740]
ChEMBL Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay B 6.66 pIC50 220 nM IC50 J Med Chem (2015) 58: 3922-3943 [PMID:25901531]
GtoPdb - - 6.66 pIC50 220 nM IC50 J Med Chem (2015) 58: 3922-43 [PMID:25901531]
TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931]
ChEMBL Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assay B 5.14 pIC50 7300 nM IC50 J Med Chem (2015) 58: 3922-3943 [PMID:25901531]
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 Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay B 4.56 pIC50 27300 nM IC50 J Med Chem (2015) 58: 3922-3943 [PMID:25901531]
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 Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assay B 4.38 pIC50 41800 nM IC50 J Med Chem (2015) 58: 3922-3943 [PMID:25901531]

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]