geldanamycin [Ligand Id: 9829] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL278315 (Geldanamycin, NSC-122750)
  • 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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  • Heat shock protein HSP 90 (HSP82) in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL3536] [UniProtKB: P02829]
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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
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 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 6.18 pIC50 661 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 8 pIC50 10 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
Heat shock protein HSP 90 in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1667702] [UniProtKB: P11500]
ChEMBL Inhibition of HSP90 dependent refolding of heat denatured firefly luciferase in rabbit reticulocyte lysate after 30 mins B 5.7 pIC50 2000 nM IC50 Bioorg Med Chem Lett (2011) 21: 2659-2664 [PMID:21273068]
ChEMBL Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay B 6.55 pIC50 282 nM IC50 Bioorg Med Chem (2014) 22: 3989-3993 [PMID:24984936]
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 recombinant human HSP90alpha assessed as dissociation constant by isothermal titration calorimetry assay B 5.33 pKd 4670 nM Kd Eur J Med Chem (2023) 256: 115450-115450 [PMID:37210951]
ChEMBL The compound was tested for binding affinity against yeast Heat shock protein HSP 90 B 5.92 pKd 1215 nM Kd J Med Chem (1999) 42: 260-266 [PMID:9925731]
ChEMBL The compound was tested for binding affinity against isolated N-domain of Heat shock protein HSP 90 B 6.11 pKd 775 nM Kd J Med Chem (1999) 42: 260-266 [PMID:9925731]
ChEMBL Binding affinity to N-terminal FLAG-tagged human recombinant HSP90alpha expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay B 6.15 pKd 714 nM Kd J Med Chem (2014) 57: 2524-2535 [PMID:24580531]
ChEMBL Inhibition of GA-FITC binding to human recombinant Hsp90alpha incubated for 5 hrs by fluorescence polarization assay B 6.11 pIC50 780 nM IC50 Eur J Med Chem (2014) 87: 346-363 [PMID:25277067]
ChEMBL Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method B 6.57 pIC50 272 nM IC50 Med Chem Res (2012) 21: 487-510
ChEMBL Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assay B 6.85 pIC50 140 nM IC50 Eur J Med Chem (2014) 85: 359-370 [PMID:25105924]
ChEMBL Inhibition of HSP90alpha (unknown origin) B 7 pIC50 100 nM IC50 Bioorg Med Chem Lett (2020) 30: 127168-127168 [PMID:32273216]
ChEMBL Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization assay B 7.13 pIC50 74 nM IC50 Bioorg Med Chem Lett (2014) 24: 2525-2529 [PMID:24751441]
ChEMBL Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 20 hrs by fluorescence polarization assay B 7.27 pIC50 53.75 nM IC50 Bioorg Med Chem Lett (2016) 26: 4287-4291 [PMID:27476419]
ChEMBL Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 29 hrs by fluorescence polarization assay B 7.31 pIC50 49.46 nM IC50 Bioorg Med Chem Lett (2016) 26: 4287-4291 [PMID:27476419]
ChEMBL Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 32 hrs by fluorescence polarization assay B 7.35 pIC50 44.33 nM IC50 Bioorg Med Chem Lett (2016) 26: 4287-4291 [PMID:27476419]
ChEMBL Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 44 hrs by fluorescence polarization assay B 7.38 pIC50 42.05 nM IC50 Bioorg Med Chem Lett (2016) 26: 4287-4291 [PMID:27476419]
ChEMBL Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 48 hrs by fluorescence polarization assay B 7.38 pIC50 41.55 nM IC50 Bioorg Med Chem Lett (2016) 26: 4287-4291 [PMID:27476419]
ChEMBL Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2011) 21: 3627-3631 [PMID:21605975]
ChEMBL Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2011) 21: 2278-2282 [PMID:21420297]
ChEMBL Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2011) 21: 4602-4607 [PMID:21715165]
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 7.55 pIC50 28 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
ChEMBL Inhibition of HSP90alpha (unknown origin) B 7.57 pIC50 27 nM IC50 Bioorg Med Chem Lett (2018) 28: 1357-1362 [PMID:29545103]
ChEMBL Inhibition of HSP90alpha (unknown origin) B 7.68 pIC50 20.9 nM IC50 J Med Chem (2024) 67: 2963-2985 [PMID:38285511]
ChEMBL Inhibition of human Hsp90-alpha by fluorescence polarization assay B 7.7 pIC50 20 nM IC50 J Med Chem (2008) 51: 373-375 [PMID:18197612]
ChEMBL Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence polarization assay B 7.85 pIC50 14 nM IC50 Eur J Med Chem (2018) 143: 390-401 [PMID:29202402]
ChEMBL Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in Escherichia coli BL21 (DE3) after 14 hrs by fluorescence polarization assay B 7.85 pIC50 14 nM IC50 Eur J Med Chem (2016) 124: 1069-1080 [PMID:27783977]
ChEMBL Inhibition of human recombinant HSP90alpha preincubated for 30 mins followed by FITC-GM addition and mesured after 3 hrs by fluorescence polarization assay B 7.89 pIC50 13 nM IC50 Eur J Med Chem (2023) 256: 115459-115459 [PMID:37172473]
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 N-domain B 6 pKd 1000 nM Kd Bioorg Med Chem Lett (2011) 21: 7068-7071 [PMID:22014826]
ChEMBL Binding affinity to human recombinant HSP90 B 6.17 pKd 670 nM Kd J Med Chem (2009) 52: 3265-3273 [PMID:19405528]
ChEMBL Binding affinity to recombinant human Hsp90 beta expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assay B 6.8 pKd 158 nM Kd J Med Chem (2016) 59: 6344-6352 [PMID:27312008]
ChEMBL Binding affinity to N-terminal FLAG-tagged human recombinant HSP90beta expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay B 6.82 pKd 152 nM Kd J Med Chem (2014) 57: 2524-2535 [PMID:24580531]
ChEMBL Inhibition of HSP90 using VER-00045864 probe by fluorescence polarization assay B 6.46 pIC50 348 nM IC50 J Med Chem (2012) 55: 10863-10884 [PMID:23186287]
GtoPdb - - 6.55 pIC50 282 nM IC50 Bioorg Med Chem (2014) 22: 3989-93 [PMID:24984936]
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 7.66 pIC50 22 nM IC50 J Med Chem (2013) 56: 6803-6818 [PMID:23965125]
ChEMBL Binding affinity to Hsp90 by fluorescence polarization assay B 7.7 pIC50 20 nM IC50 Bioorg Med Chem (2009) 17: 2225-2235 [PMID:19017562]
ChEMBL Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocorticoid receptor-dependent luciferase expression after 18 hrs by firefly luciferase reporter gene assay B 8 pIC50 <10 nM IC50 Bioorg Med Chem (2014) 22: 3989-3993 [PMID:24984936]
Heat shock protein HSP 90 (HSP82) in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3536] [UniProtKB: P02829]
ChEMBL Binding affinity to N-terminal ATP/ADP-binding domain of yeast Hsp90 B 5.92 pKd 1200 nM Kd Bioorg Med Chem (2009) 17: 2225-2235 [PMID:19017562]
ChEMBL Inhibition of yeast Hsp90 ATPase activity F 5.32 pIC50 4800 nM IC50 Bioorg Med Chem Lett (2005) 15: 3338-3343 [PMID:15955698]
ChEMBL Inhibition of yeast Hsp90 ATPase activity F 5.32 pIC50 4800 nM IC50 Bioorg Med Chem Lett (2005) 15: 3338-3343 [PMID:15955698]
ChEMBL Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite green colorimetric method B 5.64 pIC50 2300 nM IC50 Bioorg Med Chem Lett (2009) 19: 4839-4842 [PMID:19560353]
HSP90 in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795086] [UniProtKB: Q8IL32]
ChEMBL Binding affinity to N-terminal FLAG-tagged Plasmodium falciparum recombinant HSP90 (1 to 223) expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay B 6.5 pKd 318 nM Kd J Med Chem (2014) 57: 2524-2535 [PMID:24580531]
ChEMBL Binding affinity to recombinant Plasmodium falciparum Hsp90 expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assay B 6.77 pKd 169 nM Kd J Med Chem (2016) 59: 6344-6352 [PMID:27312008]
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]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 harboring HSP90 mutant F 6.18 pIC50 658 nM IC50 J Med Chem (2014) 57: 5702-5713 [PMID:24914738]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 harboring DHODH mutant F 6.59 pIC50 257 nM IC50 J Med Chem (2014) 57: 5702-5713 [PMID:24914738]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 harboring CRT mutant F 6.69 pIC50 204 nM IC50 J Med Chem (2014) 57: 5702-5713 [PMID:24914738]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 F 6.75 pIC50 176 nM IC50 J Med Chem (2014) 57: 5702-5713 [PMID:24914738]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 harboring CYTb-Qi mutant F 6.77 pIC50 169 nM IC50 J Med Chem (2014) 57: 5702-5713 [PMID:24914738]
ChEMBL Antiplasmodial activity against Plasmodium falciparum NF54 infected in human erythrocytes assessed as growth inhibition by [3H]hypoxanthine incorporation assay F 6.83 pIC50 148 nM IC50 J Med Chem (2014) 57: 2524-2535 [PMID:24580531]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human erythrocytes assessed as growth inhibition F 7.7 pIC50 20 nM IC50 Eur J Med Chem (2021) 210: 113084-113084 [PMID:33333397]

ChEMBL data shown on this page come from version 34:

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]