BDBM45375 1-[4-(azepan-1-ylcarbonyl)phenyl]pyrrolidin-2-one::1-[4-(azepane-1-carbonyl)phenyl]-2-pyrrolidone::1-[4-(azepane-1-carbonyl)phenyl]pyrrolidin-2-one::1-[4-[1-azepanyl(oxo)methyl]phenyl]-2-pyrrolidinone::MLS000091997::SMR000026521::cid_3241410

SMILES O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O

InChI Key InChIKey=QSRLSFVKIVMJAJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45375   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45375BDBM45375(1-[4-[1-azepanyl(oxo)methyl]phenyl]-2-pyrrolidinon...)
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