null
SMILES: COc1ccc(cc1)-c1c(NC(=O)C2CC2)onc1-c1cc(Cl)c(O)cc1O
InChI Key: InChIKey=DWCUAHBOVUBFHQ-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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-alpha (Homo sapiens (Human)) | BDBM50030839 (CHEMBL3342588) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay | Eur J Med Chem 87: 765-81 (2014) Article DOI: 10.1016/j.ejmech.2014.09.065 BindingDB Entry DOI: 10.7270/Q2TX3GZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |