BDBM50003900 CHEMBL3235350
SMILES: CC(C)Cc1cc(cc2CCNC(=O)c12)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O
InChI Key: InChIKey=JEHITPSPEWPKHP-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assay | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assay | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Endoplasmin (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Displacement of FITC-geldanamycin from recombinant GRP94 (unknown origin) after 2 hrs by fluorescence polarization assay | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Displacement of FITC-geldanamycin from recombinant TRAP1 (unknown origin) after 2 hrs by fluorescence polarization assay | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of HSP90 in Huntington's disease patient derived fibroblasts assessed as reduction of mHtt level after 48 hrs by Western blot analysis | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50003900 (CHEMBL3235350) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States. Curated by ChEMBL | Assay Description Inhibition of HSP90 in HEK cells expressing full-length mHtt Q73 gene assessed as reduction of mHtt level after 24 hrs by Western blot analysis | J Med Chem 57: 3382-400 (2014) Article DOI: 10.1021/jm500042s BindingDB Entry DOI: 10.7270/Q2057HGG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |