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ChEMBL ligand: CHEMBL467399 (Biib021, BIIB 021, BIIB-021, Cnf-2024, Cnf2024, CNF2024) |
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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 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]