BDBM45557 2-pyridinecarboxylic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester::MLS000375018::SMR000254371::[4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-2-carboxylate::[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate::cid_2312307::picolinic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester

SMILES COC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N

InChI Key InChIKey=INJPSDSANLQOJT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45557   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45557BDBM45557(MLS000375018 | SMR000254371 | [4-[(E)-2-cyano-3-me...)
Affinity DataIC50: 5.23E+3nMAssay 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