BDBM33728 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester::2-[4-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester::MLS000579860::SMR000199099::cid_2197424::methyl 2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate::methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate::methyl [4-({[4-(4-fluorophenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate

SMILES COC(=O)Cc1ccc(NC(=S)N2CCN(CC2)c2ccc(F)cc2)cc1

InChI Key InChIKey=LJDLQGUNVGQQFQ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 33728   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33728(cid_2197424 | methyl [4-({[4-(4-fluorophenyl)-1-pi...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33728(cid_2197424 | methyl [4-({[4-(4-fluorophenyl)-1-pi...)
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