BDBM83965 MLS001078814::N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl]-2-(3-keto-4H-1,4-benzothiazin-2-yl)-N-methyl-acetamide::N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide::N-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanamide::SMR000713648::cid_17508241

SMILES CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O

InChI Key InChIKey=OXJCJYGIYPYOFK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83965   

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83965BDBM83965(N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoet...)
Affinity DataIC50: 2.46E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83965BDBM83965(N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoet...)
Affinity DataIC50: 3.36E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83965BDBM83965(N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay