BDBM45398 1-benzyl-6-[(E)-2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile::1-benzyl-6-[(E)-2-(dimethylamino)vinyl]-4-keto-pyrimidine-5-carbonitrile::1-benzyl-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile::6-[(E)-2-(dimethylamino)ethenyl]-4-oxidanylidene-1-(phenylmethyl)pyrimidine-5-carbonitrile::6-[(E)-2-(dimethylamino)ethenyl]-4-oxo-1-(phenylmethyl)-5-pyrimidinecarbonitrile::MLS000058822::SMR000069088::cid_787457

SMILES CN(C)\C=C\c1c(C#N)c(=O)ncn1Cc1ccccc1

InChI Key InChIKey=BMTOXJGOEYQBOF-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 = 45398   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45398BDBM45398(6-[(E)-2-(dimethylamino)ethenyl]-4-oxidanylidene-1...)
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