BDBM45616 2-(3-keto-1-o-anisyl-piperazin-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)ethanamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazinyl]-N-methyl-N-(2-pyrazinylmethyl)acetamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::MLS000732624::SMR000315355::cid_16190777

SMILES COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1

InChI Key InChIKey=JONNTFLXBWNFIC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 45616   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45616BDBM45616(2-[1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-pip...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45616BDBM45616(2-[1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-pip...)
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