BIIB021 [Ligand Id: 9258] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL467399 (Biib021, BIIB 021, BIIB-021, Cnf-2024, Cnf2024, CNF2024)
  • 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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  • coactivator associated arginine methyltransferase 1 in Human [GtoPdb: 1255] [UniProtKB: Q86X55]
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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 human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay B 6.75 pKi 176 nM Ki Bioorg Med Chem Lett (2014) 24: 204-208 [PMID:24332488]
TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931]
ChEMBL Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assay B 7.21 pKi 62 nM Ki Bioorg Med Chem Lett (2014) 24: 204-208 [PMID:24332488]
ChEMBL Inhibition of FITC3-labeled PU-H71 binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 561 residues) expressed in Escherichia coli BL21(DE3) after 24 hrs by fluorescence polarization assay B 6.27 pIC50 535 nM IC50 J Med Chem (2017) 60: 7569-7578 [PMID:28816449]
ChEMBL Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay B 7.05 pIC50 90 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
Heat shock protein 90 beta in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4748] [UniProtKB: P41148]
ChEMBL Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay B 6.91 pIC50 124 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
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 N-terminal polyHis-tagged HSP90alpha (D9 to E236) alpha-helix conformation expressed in insect sf9 cells after 3 hrs by fluorescence polarization assay B 8.7 pKi 2 nM Ki Bioorg Med Chem Lett (2014) 24: 204-208 [PMID:24332488]
ChEMBL Inhibition of HSP90alpha B 8.77 pKi 1.7 nM Ki J Med Chem (2010) 53: 3-17 [PMID:20055425]
ChEMBL Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay B 8.77 pKi 1.7 nM Ki J Med Chem (2012) 55: 7786-7795 [PMID:22938030]
ChEMBL Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 hrs by FITC-labeled geldanamycin probe based fluorescence polarization assay B 4.25 pIC50 56800 nM IC50 Eur J Med Chem (2020) 203: 112540-112540 [PMID:32683166]
ChEMBL Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay B 7.18 pIC50 65.7 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of HSP90a (unknown origin) B 7.18 pIC50 65.7 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
ChEMBL Inhibition of FITC3-labeled PU-H71 binding to recombinant HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay B 7.28 pIC50 52 nM IC50 J Med Chem (2017) 60: 7569-7578 [PMID:28816449]
ChEMBL Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay B 7.54 pIC50 29 nM IC50 Bioorg Med Chem Lett (2017) 27: 237-241 [PMID:27914802]
ChEMBL Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay B 7.72 pIC50 19 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
ChEMBL Inhibition of Hsp90alpha B 8.29 pIC50 5.1 nM IC50 J Med Chem (2012) 55: 7786-7795 [PMID:22938030]
GtoPdb - - 8.7 pIC50 2 nM IC50 Bioorg Med Chem Lett (2014) 24: 204-8 [PMID:24332488]
ChEMBL Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2 B 7.42 pEC50 38 nM EC50 J Med Chem (2012) 55: 7786-7795 [PMID:22938030]
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 Binding affinity to Hsp90 nucleotide binding domain B 8.77 pKd 1.7 nM Kd J Med Chem (2010) 53: 7280-7286 [PMID:20608738]
ChEMBL Binding affinity to HSP90 under non-reducing conditions in absence of TECP B 7.59 pKi 26 nM Ki J Med Chem (2010) 53: 3-17 [PMID:20055425]
ChEMBL Binding affinity to HSP90 under reducing conditions in presence of TECP B 7.89 pKi 13 nM Ki J Med Chem (2010) 53: 3-17 [PMID:20055425]
ChEMBL Binding affinity to human N-terminal polyHis-tagged HSP90beta (D9 to E236) expressed in insect sf9 cells after 3 hrs by fluorescence polarization assay B 8.4 pKi 4 nM Ki Bioorg Med Chem Lett (2014) 24: 204-208 [PMID:24332488]
ChEMBL Binding affinity to HSP90 by fluorescence polarization assay B 8.77 pKi 1.7 nM Ki J Med Chem (2010) 53: 3-17 [PMID:20055425]
ChEMBL Binding affinity to Hsp90 nucleotide binding domain in human BT474 cells B 6.85 pIC50 140 nM IC50 J Med Chem (2010) 53: 7280-7286 [PMID:20608738]
ChEMBL Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cells B 7.42 pIC50 38 nM IC50 J Med Chem (2010) 53: 3-17 [PMID:20055425]
ChEMBL Inhibition of Hsp90 assessed as Her2 degradation by cell based assay B 7.52 pIC50 30 nM IC50 Bioorg Med Chem (2009) 17: 2225-2235 [PMID:19017562]
ChEMBL Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant HSP90beta (unknown origin) after 24 hrs by fluorescence polarization assay B 7.77 pIC50 17 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
ChEMBL Inhibition of HSP90-mediated client protein HER2 degradation B 8.15 pIC50 7 nM IC50 J Med Chem (2010) 53: 3-17 [PMID:20055425]
coactivator associated arginine methyltransferase 1 in Human [GtoPdb: 1255] [UniProtKB: Q86X55]
GtoPdb In vitro methylation of H3 (1-25). - 8 pIC50 <10 nM IC50 TP-064 A Chemical Probe For PRMT4. thesgc.org

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]