BDBM32966 MLS001033622::SMR000363998::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanethione::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)piperazino]methanethione::cid_3962495

SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=YKCOHQFOGKUPKW-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 = 32966   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32966(MLS001033622 | [4-(dimethylamino)phenyl]-[4-(4-nit...)
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:
5/27/2011
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32966(MLS001033622 | [4-(dimethylamino)phenyl]-[4-(4-nit...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay