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-alpha (Homo sapiens (Human)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | n/a | n/a | 38.8 | 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) BindingDB Entry DOI: 10.7270/Q2ZG6W96 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | n/a | 38.8 | 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-beta (Homo sapiens (Human)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | n/a | 55.4 | 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) | ||||||||||||
Hsp90 co-chaperone Cdc37 (Homo sapiens (Human)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 122 | 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 HSP 90-beta (Homo sapiens (Human)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | n/a | 5.20E+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)) | BDBM50180306 (8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISO...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | n/a | 1.33E+4 | 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) |