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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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 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 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]
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]
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]
Plasmodium falciparum NF54 (target type: ORGANISM) [ChEMBL: CHEMBL2367131]
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 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]