BDBM20906 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-hydroxypiperidin-1-yl)methyl]phenyl}-1,2-oxazole-3-carboxamide::Isoxazole, 30i::US10413550, Example 53::US11234987, Example 53::US9718793, 53

SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O

InChI Key InChIKey=UXGROXSBDPYMIT-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  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 4 hits for monomerid = 20906   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM20906(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Affinity DataIC50:  28nM EC50:  1.29E+3nMpH: 7.4 T: 2°CAssay Description:The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Cancer Research Technology

US Patent
LigandPNGBDBM20906(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Affinity DataIC50: <1.00E+4nMAssay Description:1) Costar 96-well black assay plate. Assay buffer of (a) 100 mM Tris pH7.4; (b) 20 mM KCl; (c) 6 mM MgCl2. Stored at room temperature.3) BSA (bovine ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEndoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM20906(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Affinity DataIC50: <1.00E+4nMAssay Description: (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM20906(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Affinity DataIC50: <1.00E+4nMAssay Description:Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...More data for this Ligand-Target Pair
In DepthDetails US Patent