BDBM50562341 CHEMBL4747476

SMILES Cc1c2OC(C)(C)Cc2c(C)c(c1C)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

InChI Key InChIKey=HYYQDXLUPHITIC-UHFFFAOYSA-N

Data  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50562341   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50562341(CHEMBL4747476)
Affinity DataKd:  5.52E+3nMAssay Description:Binding affinity to recombinant human N-terminal truncated HSP90 (9 to 236 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50562341(CHEMBL4747476)
Affinity DataKd:  5.52E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed