BDBM50518441 CHEMBL4461643

SMILES CC(C)c1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3ccsc3)c12

InChI Key InChIKey=UHZZHGCXZRLJMA-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 = 50518441   

TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50518441(CHEMBL4461643)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of biotin-labeled geldanamycin from His-tagged HSP90alpha NTD (unknown origin) preincubated for 2 hrs followed by biotin-labeled geldana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed