alvespimycin [Ligand Id: 9828] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL383824 (Alvespimicina, Alvespimycin, Alvespimycine, NSC-707545)
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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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  • Hypoxia-inducible factor 1 alpha in Human [ChEMBL: CHEMBL4261] [UniProtKB: Q16665]
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  • lysine demethylase 4B/Lysine-specific demethylase 4B in Human [ChEMBL: CHEMBL3313832] [GtoPdb: 2676] [UniProtKB: O94953]
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  • lysine demethylase 4C/Lysine-specific demethylase 4C in Human [ChEMBL: CHEMBL6175] [GtoPdb: 2677] [UniProtKB: Q9H3R0]
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  • lysine demethylase 5A/Lysine-specific demethylase 5A in Human [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375]
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  • lysine demethylase 6B/Lysine-specific demethylase 6B in Human [ChEMBL: CHEMBL1938211] [GtoPdb: 2685] [UniProtKB: O15054]
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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 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]
lysine demethylase 4B/Lysine-specific demethylase 4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3313832] [GtoPdb: 2676] [UniProtKB: O94953]
ChEMBL Inhibition of KDM4B (unknown origin) measured by AlphaScreen assay B 6.15 pIC50 700 nM IC50 J Med Chem (2022) 65: 9564-9579 [PMID:35838529]
lysine demethylase 4C/Lysine-specific demethylase 4C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6175] [GtoPdb: 2677] [UniProtKB: Q9H3R0]
ChEMBL Inhibition of KDM4C (unknown origin) measured by AlphaScreen assay B 6.15 pIC50 700 nM IC50 J Med Chem (2022) 65: 9564-9579 [PMID:35838529]
lysine demethylase 5A/Lysine-specific demethylase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375]
ChEMBL Inhibition of KDM5A (unknown origin) measured by AlphaScreen assay B 6.89 pIC50 130 nM IC50 J Med Chem (2022) 65: 9564-9579 [PMID:35838529]
lysine demethylase 6B/Lysine-specific demethylase 6B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1938211] [GtoPdb: 2685] [UniProtKB: O15054]
ChEMBL Inhibition of KDM6B (unknown origin) measured by AlphaScreen assay B 6.4 pIC50 400 nM IC50 J Med Chem (2022) 65: 9564-9579 [PMID:35838529]

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]