BDBM45659 6-amino-5-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]-1,3-dimethyl-pyrimidine-2,4-quinone::6-amino-5-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]-1,3-dimethylpyrimidine-2,4-dione::6-amino-5-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]-1,3-dimethylpyrimidine-2,4-dione::6-azanyl-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonyl-1,3-dimethyl-pyrimidine-2,4-dione::MLS001004228::SMR000347866::cid_2359062

SMILES COc1ccc(cc1OC)-c1cc(C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1

InChI Key InChIKey=SNMNCBYJIUGYCB-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 = 45659   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45659BDBM45659(6-amino-5-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-...)
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