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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] |
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]