BDBM50064407 CHEMBL3403717

SMILES CCCC1Cc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc2O1)C(N)=O

InChI Key InChIKey=TXWPKOAVOIYSHT-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064407   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50064407(CHEMBL3403717)Copy SMILESCopy InChI

Affinity DataKi:  115nMAssay Description:Inhibition of FITC-GA binding to Hsp90alpha (unknown origin) ATPase site after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI