BDBM56815 5-[3,5-bis(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid::5-[3,5-bis(trifluoromethyl)anilino]-5-keto-3-methyl-valeric acid::5-[3,5-di(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid::5-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-methyl-5-oxidanylidene-pentanoic acid::MLS000850801::SMR000456818::cid_2732321

SMILES CC(CC(O)=O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=UXAILUBQNRXBGU-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 56815   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56815(MLS000850801 | 5-[[3,5-bis(trifluoromethyl)phenyl]...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay