BDBM81729 HSP90 Inhibitor, 1::hsp90_125

SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br

InChI Key InChIKey=RXSSKAZHCZWJPP-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

  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 3 hits for monomerid = 81729   

TargetHeat shock protein HSP 90-alpha(Human)
Abbott Laboratories

LigandPNGBDBM81729(HSP90 Inhibitor, 1 | hsp90_125)
Affinity DataKd: <1.00E+4nMpH: 7.5 T: 2°CAssay Description:HSP90 inhibitors identified using NMR fragment-based screening assay.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
D3R/Abbott

LigandPNGBDBM81729(HSP90 Inhibitor, 1 | hsp90_125)
Affinity DataIC50: 462nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair
In DepthDetails
D3R

TargetHeat shock protein HSP 90-alpha(Human)
Abbott Laboratories

LigandPNGBDBM81729(HSP90 Inhibitor, 1 | hsp90_125)
Affinity DataKi:  320nM ΔG°:  -8.85kcal/molepH: 7.5 T: 2°CAssay Description:HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed