BDBM50165313 8-(2,4-Dichloro-5-methoxy-phenylsulfanyl)-9-(2-isopropoxy-ethyl)-9H-purin-6-ylamine::CHEMBL363196::US10676476, Example 3

SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl

InChI Key InChIKey=VJHQQVOFWCXUBZ-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165313   

TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165313(8-(2,4-Dichloro-5-methoxy-phenylsulfanyl)-9-(2-iso...)
Affinity DataIC50:  5.83E+4nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed