BDBM35512 3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl acetate::MLS000045631::SMR000027588::[3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ethanoate::[3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] acetate::acetic acid [3-keto-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester::acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester::cid_3243025

SMILES CC(=O)OC1(Oc2ccccc2NC1=O)C(F)(F)F

InChI Key InChIKey=HMXHWXUBXOQENS-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 = 35512   

TargetCathepsin B(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35512(3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzo...)
Affinity DataIC50:  844nMpH: 6.8 T: 2°CAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35512(3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzo...)
Affinity DataIC50:  68.0nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35512(3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzo...)
Affinity DataIC50:  45.3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCathepsin B(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM35512(3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzo...)
Affinity DataIC50:  845nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay