BDBM45648 2-[N-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonyl]-4-ethoxy-anilino]-N-(2,5-dimethylphenyl)acetamide::MLS000674720::N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonyl]amino]ethanamide::N-(2,5-dimethylphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide::N~1~-(2,5-dimethylphenyl)-N~2~-(4-ethoxyphenyl)-N~2~-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]glycinamide::SMR000314161::cid_16008186

SMILES CCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1

InChI Key InChIKey=MWMBIUUYBQWKJX-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 = 45648   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45648BDBM45648(N~1~-(2,5-dimethylphenyl)-N~2~-(4-ethoxyphenyl)-N~...)
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