BDBM31720 (E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydroxy-ethylamino)-but-2-en-1-one::(E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-2-buten-1-one::(E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)but-2-en-1-one::(E)-1-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(2-hydroxyethylamino)but-2-en-1-one::MLS000554262::SMR000146579::cid_5290338

SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F

InChI Key InChIKey=HIUXQWSRWPHUDV-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 31720   

TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31720((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...)
Affinity DataIC50:  1.00E+5nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31720((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...)
Affinity DataIC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31720((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...)
Affinity DataIC50: >5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31720((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...)
Affinity DataIC50: >1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay