BDBM45611 3-[2-(2,2-diallylpyrrolidin-1-yl)-2-oxoethyl]-4-(2,3-dimethoxybenzyl)piperazin-2-one::3-[2-(2,2-diallylpyrrolidino)-2-keto-ethyl]-4-o-veratryl-piperazin-2-one::3-[2-[2,2-bis(prop-2-enyl)-1-pyrrolidinyl]-2-oxoethyl]-4-[(2,3-dimethoxyphenyl)methyl]-2-piperazinone::3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-2-one::3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-2-one::MLS000733275::SMR000315759::cid_16189918

SMILES COc1cccc(CN2CCNC(=O)C2CC(=O)N2CCCC2(CC=C)CC=C)c1OC

InChI Key InChIKey=DIYPYPPEYMSWQN-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 = 45611   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45611BDBM45611(3-[2-(2,2-diallylpyrrolidin-1-yl)-2-oxoethyl]-4-(2...)
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