Found 26 hits for monomerid = 50180302 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Endoplasmin
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | |
Endoplasmin
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of GRP94 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
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| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Her2 degradation in human breast cancer SKBr3 cell line |
J Med Chem 49: 381-90 (2006)
Article DOI: 10.1021/jm0508078 BindingDB Entry DOI: 10.7270/Q2Q52P71 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 10.2 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Hsp90 in human breast cancer MDA-MB-468 cell line |
J Med Chem 49: 381-90 (2006)
Article DOI: 10.1021/jm0508078 BindingDB Entry DOI: 10.7270/Q2Q52P71 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to Hsp90 in lung tissue |
J Med Chem 49: 381-90 (2006)
Article DOI: 10.1021/jm0508078 BindingDB Entry DOI: 10.7270/Q2Q52P71 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to Hsp90 in heart tissue |
J Med Chem 49: 381-90 (2006)
Article DOI: 10.1021/jm0508078 BindingDB Entry DOI: 10.7270/Q2Q52P71 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 16.1 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell line |
J Med Chem 49: 381-90 (2006)
Article DOI: 10.1021/jm0508078 BindingDB Entry DOI: 10.7270/Q2Q52P71 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 59.6 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Displacement of cy3B-GM from Hsp90alpha |
Bioorg Med Chem Lett 16: 4515-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.025 BindingDB Entry DOI: 10.7270/Q24J0DR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
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| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description 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 a... |
J Med Chem 56: 6803-18 (2013)
Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 90 beta
(Canis familiaris) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description 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 a... |
J Med Chem 56: 6803-18 (2013)
Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 |
Bioorg Med Chem 17: 2225-35 (2009)
Article DOI: 10.1016/j.bmc.2008.10.087 BindingDB Entry DOI: 10.7270/Q2T72JCS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradation |
Bioorg Med Chem 17: 2225-35 (2009)
Article DOI: 10.1016/j.bmc.2008.10.087 BindingDB Entry DOI: 10.7270/Q2T72JCS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 27: 237-241 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
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| PDB Article PubMed
| n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Ulsan National Institutes of Science and Technology (UNIST)
Curated by ChEMBL
| Assay Description Inhibition of FITC3-labeled PU-H71 binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 561 residues) expressed in Escherichia coli BL21(... |
J Med Chem 60: 7569-7578 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00978 BindingDB Entry DOI: 10.7270/Q2J968H0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Ulsan National Institutes of Science and Technology (UNIST)
Curated by ChEMBL
| Assay Description Inhibition of FITC3-labeled PU-H71 binding to recombinant HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 60: 7569-7578 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00978 BindingDB Entry DOI: 10.7270/Q2J968H0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hsp90 co-chaperone
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
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| US Patent
| n/a | n/a | n/a | n/a | 30.8 | n/a | n/a | n/a | n/a |
Sloan-Kettering Institute for Cancer Research
US Patent
| Assay Description The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl... |
US Patent US10336757 (2019)
BindingDB Entry DOI: 10.7270/Q2VT1VF6 |
More data for this Ligand-Target Pair | |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human MCF7 cell lysates assessed as interaction with Cy3b-conjugated geldanamycin by FP assay |
Bioorg Med Chem 16: 6903-10 (2008)
Article DOI: 10.1016/j.bmc.2008.05.047 BindingDB Entry DOI: 10.7270/Q2WS8X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat Shock Protein 90 (Hsp90)
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
Reactome pathway KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 in human MCF7 cells assessed as Her2 level after 24 hrs by Western blot |
Bioorg Med Chem 16: 6903-10 (2008)
Article DOI: 10.1016/j.bmc.2008.05.047 BindingDB Entry DOI: 10.7270/Q2WS8X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| MMDB PDB US Patent
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Sloan-Kettering Institute for Cancer Research
US Patent
| Assay Description The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ... |
US Patent US10676476 (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering Institute for Cancer Research
US Patent
| Assay Description The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ... |
US Patent US10676476 (2020)
|
More data for this Ligand-Target Pair | |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
KEGG
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antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PDB PubMed
| n/a | n/a | 675 | n/a | n/a | n/a | n/a | n/a | n/a |
Ulsan National Institutes of Science and Technology (UNIST)
Curated by ChEMBL
| Assay Description Inhibition of PU-H71-FITC binding to recombinant wild-type human TRAP1 expressed in Escherichia coli BL21 (DE3) measured after 2 hrs by fluorescence ... |
J Med Chem 63: 2930-2940 (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| MMDB PDB PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of TRAP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50180302
(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |