BDBM45714 (3Z)-6-chloranyl-3-[ethoxy(oxidanyl)methylidene]-1-ethyl-quinoline-2,4-dione::(3Z)-6-chloro-3-[ethoxy(hydroxy)methylene]-1-ethyl-quinoline-2,4-quinone::(3Z)-6-chloro-3-[ethoxy(hydroxy)methylidene]-1-ethylquinoline-2,4-dione::6-Chloro-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester::MLS000769213::SMR000433947::cid_5401647

SMILES CCOC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O

InChI Key InChIKey=KSHXYSCRQMFKFW-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 = 45714   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45714BDBM45714(MLS000769213 | SMR000433947 | (3Z)-6-chloro-3-[eth...)
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