BDBM50048354 CHEMBL3309985

SMILES c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

InChI Key InChIKey=GPDFQUXFCMBYJK-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50048354   

TargetHeat shock protein HSP 90-beta(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50048354(CHEMBL3309985)
Affinity DataKi:  35nMAssay Description:Inhibition of Hsp90 (unknown origin) by FP displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50048354(CHEMBL3309985)
Affinity DataKi:  170nMAssay Description:Inhibition of Hsp90 (unknown origin) by NMR FAXS screening methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)