BDBM50520392 CHEMBL4476227

SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC#N)c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

InChI Key InChIKey=DLIFTDLHQXVLRC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50520392   

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

Curated by ChEMBL
LigandPNGBDBM50520392(CHEMBL4476227)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant full-length HSP90 ATPase activity N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed