BDBM56754 5,5-Dimethyl-3-octylamino-cyclohex-2-enone::5,5-dimethyl-3-(octylamino)-1-cyclohex-2-enone::5,5-dimethyl-3-(octylamino)cyclohex-2-en-1-one::MLS000779840::SMR000420031::cid_3448281

SMILES CCCCCCCCNC1=CC(=O)CC(C)(C)C1

InChI Key InChIKey=MPTYCSJLYZKNAL-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56754   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56754(5,5-dimethyl-3-(octylamino)-1-cyclohex-2-enone | S...)
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