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ChEMBL ligand: CHEMBL278315 (Geldanamycin, NSC-122750) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]