BDBM50048356 CHEMBL3309989
SMILES: Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)S(N)(=O)=O
InChI Key: InChIKey=ZQQVJQOAKZOWGL-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-beta (Homo sapiens (Human)) | BDBM50048356 (CHEMBL3309989) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Curated by ChEMBL | Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay | Bioorg Med Chem 22: 4135-50 (2014) Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |