Found 8 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50180302' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50180302
![PNG](/data/jpeg/tenK5018/BindingDB_50180302.png) (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |