BDBM32080 (4E)-3-hydroxy-5-methyl-4-[4-(1,3-thiazol-4-yl)-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one::(4E)-3-hydroxy-5-methyl-4-[4-(4-thiazolyl)-3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone::(4E)-3-hydroxy-5-methyl-4-[4-thiazol-4-yl-3-(trifluoromethyl)-3-isoxazolin-5-ylidene]cyclohexa-2,5-dien-1-one::(4E)-3-methyl-5-oxidanyl-4-[4-(1,3-thiazol-4-yl)-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one::MLS000060383::SMR000066055::US10413550, Example 12d::US11234987, Example 12d::US9718793, 12d$#167;::cid_5742576

SMILES Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F

InChI Key InChIKey=CXGROUGUBSOUJT-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 32080   

LigandPNGBDBM32080(SMR000066055 | cid_5742576 | (4E)-3-methyl-5-oxida...)
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-HCl, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2020
Entry Details
US Patent

TargetHeat shock protein HSP 90-alpha(Human)
The Institute of Cancer Research

US Patent
LigandPNGBDBM32080(SMR000066055 | cid_5742576 | (4E)-3-methyl-5-oxida...)
Affinity DataIC50: 1.00E+4nMAssay Description:Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2018
Entry Details
US Patent

TargetHeat shock protein HSP 90-alpha(Human)
The Institute of Cancer Research

US Patent
LigandPNGBDBM32080(SMR000066055 | cid_5742576 | (4E)-3-methyl-5-oxida...)
Affinity DataIC50: 1.55E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay
TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
Cancer Research Technology

US Patent
LigandPNGBDBM32080(SMR000066055 | cid_5742576 | (4E)-3-methyl-5-oxida...)
Affinity DataIC50: 5.00E+4nMAssay Description:1. Dilute test compounds to 500 uM in AR water (DMSO concentration will be 2.5%). Transfer 2.5 ul of these compounds directly from the daughter plate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2022
Entry Details
US Patent