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ChEMBL ligand: CHEMBL383824 (Alvespimycin, NSC-707545) |
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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 in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4748] [UniProtKB: P41148] | ||||||||
ChEMBL | Inhibition of BODIPY-AG binding to dog Grp94 | B | 7.19 | pEC50 | 65 | nM | EC50 | J Med Chem (2006) 49: 4606-4615 [PMID:16854066] |
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 for human heat shock protein 90 in scintillation proximity assay | B | 6.3 | pKd | 500 | nM | Kd | Bioorg Med Chem Lett (2005) 15: 5016-5021 [PMID:16165354] |
ChEMBL | Binding affinity to human recombinant Hsp90alpha N-terminal domain by scintillation proximity assay | B | 6.3 | pKd | 500 | nM | Kd | J Med Chem (2009) 52: 1518-1521 [PMID:19231864] |
ChEMBL | Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry | B | 7.06 | pKd | 87 | nM | Kd | J Med Chem (2009) 52: 1518-1521 [PMID:19231864] |
ChEMBL | Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scintillation proximity assay | B | 6.17 | pKi | 680 | nM | Ki | J Med Chem (2011) 54: 3368-3385 [PMID:21438541] |
ChEMBL | Inhibition of 6x-His tagged human recombinant full length Hsp90alpha ATPase preincubated for 0.5 hrs followed by ATP addition measured after 30 mins by HTRF assay | B | 6.04 | pIC50 | 919 | nM | IC50 | Bioorg Med Chem (2016) 24: 4626-4635 [PMID:27527413] |
GtoPdb | - | - | 8.35 | pIC50 | 4.5 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6273-8 [PMID:18929486] |
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 human recombinant HSP90 | B | 6.3 | pKd | 500 | nM | Kd | J Med Chem (2009) 52: 3265-3273 [PMID:19405528] |
ChEMBL | Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotometric analysis | B | 5.85 | pIC50 | 1410 | nM | IC50 | Eur J Med Chem (2014) 79: 399-412 [PMID:24763261] |
ChEMBL | Inhibition of full-length Hsp90-ATPase activity (unknown origin) assessed as inhibition of ATP hydrolysis by spectrophotometry | B | 6.03 | pIC50 | 930 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1557-1561 [PMID:24582477] |
ChEMBL | Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assay | B | 7.05 | pIC50 | 90 | nM | IC50 | Eur J Med Chem (2014) 79: 399-412 [PMID:24763261] |
ChEMBL | Binding affinity to Hsp90 in human SKBR3 cells | B | 7.62 | pIC50 | 24 | nM | IC50 | Bioorg Med Chem (2009) 17: 2225-2235 [PMID:19017562] |
Hypoxia-inducible factor 1 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4261] [UniProtKB: Q16665] | ||||||||
ChEMBL | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis | F | 7.24 | pIC50 | 57.2 | nM | IC50 | J Nat Prod (2009) 72: 39-43 [PMID:19072214] |
ChEMBL | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis | F | 7.24 | pIC50 | 57 | nM | IC50 | J Nat Prod (2010) 73: 1167-1169 [PMID:20469887] |
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]