BDBM50064392 CHEMBL3403716
SMILES: Cc1c2CCOc3cc(ccc3-n2c2CC(C)(C)CC(=O)c12)C(N)=O
InChI Key: InChIKey=CXFXSTHDYJQJAP-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 |
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Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50064392 (CHEMBL3403716) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of FITC-GA binding to Hsp90alpha (unknown origin) ATPase site after 2 hrs by fluorescence polarization assay | Bioorg Med Chem Lett 25: 1338-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.023 BindingDB Entry DOI: 10.7270/Q27M09MS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |