ganetespib [Ligand Id: 13309] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2103879 (Ganetespib, STA 9090, STA-9090) |
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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 family member 1/Endoplasmin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075323] [GtoPdb: 2904] [UniProtKB: P14625] | ||||||||
| ChEMBL | Inhibition of GRP94 (unknown origin) | B | 7.42 | pIC50 | 37.7 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126809-126809 [PMID:31839539] |
| 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 | 7.29 | pIC50 | 51 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| ChEMBL | Inhibition of TRAP1 (unknown origin) | B | 7.42 | pIC50 | 37.7 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126809-126809 [PMID:31839539] |
| 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 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] | ||||||||
| GtoPdb | - | - | 9 | pKd | <1 | nM | Kd | (null) : |
| ChEMBL | Recombinant Hsp90 [His-Tev-huHsp90-alpha (9-236)] was immobilized on a Biacore CM5 chip at 25 degrees C and a flow rate of 30 uL/min using amine coupling at pH 4.50 according to Biacore standard protocol. Hsp90 was applied at a concentration of 20 ug/mL with 50uM 17-DMAG.Data sets were processed and analyzed using the software Biacore 4000 Evaluation. Solvent corrected and double-referenced association and dissociation phase data were fitted to a simple 1:1 interaction model with mass transport limitations | B | 9 | pKd | <1 | nM | Kd | K4DD drug target binding kinetics data |
| ChEMBL | Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay | B | 7.3 | pIC50 | 50.45 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126809-126809 [PMID:31839539] |
| 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 | 8.22 | pIC50 | 6 | nM | IC50 | Eur J Med Chem (2023) 256: 115459-115459 [PMID:37172473] |
| GtoPdb | - | - | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2013) 56: 6803-18 [PMID:23965125] |
| 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 | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| 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 | 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 | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| Monoamine oxidase A in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3681] [GtoPdb: 2489] [UniProtKB: Q64133] | ||||||||
| ChEMBL | Inhibition of MAO A in mouse GL26 cells preincubated for 20 mins followed by 14C-labeled 5-hydroxytryptamine addition and measured after 20 mins by scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2023) 256: 115459-115459 [PMID:37172473] |
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]
