BDBM31702 1-[2-(2-chloro-6-fluoro-phenyl)acetyl]isonipecotic acid ethyl ester::1-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester::MLS000065077::SMR000078473::cid_1094120::ethyl 1-[(2-chloro-6-fluorophenyl)acetyl]-4-piperidinecarboxylate::ethyl 1-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperidine-4-carboxylate::ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate

SMILES CCOC(=O)C1CCN(CC1)C(=O)Cc1c(F)cccc1Cl

InChI Key InChIKey=YSSZCWYOIJUSDN-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 31702   

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

Curated by PubChem BioAssay
LigandPNGBDBM31702(1-[2-(2-chloro-6-fluoro-phenyl)acetyl]isonipecotic...)
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
In DepthDetails PCBioAssay
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31702(1-[2-(2-chloro-6-fluoro-phenyl)acetyl]isonipecotic...)
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
In DepthDetails PCBioAssay
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31702(1-[2-(2-chloro-6-fluoro-phenyl)acetyl]isonipecotic...)
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
In DepthDetails PCBioAssay