BDBM50276573 4-chloro-6-(5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl)benzene-1,3-diol::CHEMBL515048
SMILES: COc1ccc(cc1OC)-c1snnc1-c1cc(Cl)c(O)cc1O
InChI Key: InChIKey=UTWGFIMJBOZKAO-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-alpha (Homo sapiens (Human)) | BDBM50276573 (4-chloro-6-(5-(3,4-dimethoxyphenyl)-1,2,3-thiadiaz...) | 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 | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
Fermentas UAB Curated by ChEMBL | Assay Description Binding affinity to human full length Histidine6-tagged Hsp90alpha expressed in Escherichia coli BL21 DE3 by ITC | Bioorg Med Chem Lett 19: 1089-92 (2009) Article DOI: 10.1016/j.bmcl.2009.01.003 BindingDB Entry DOI: 10.7270/Q27944KP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |