BDBM32860 2-pyridinecarboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester::MLS000392319::SMR000261279::[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate::[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-2-carboxylate::cid_2312658::picolinic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester

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

InChI Key InChIKey=VPLDARKGWVVURE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 32860   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32860BDBM32860(cid_2312658 | [4-[(E)-3-azanyl-2-cyano-3-oxidanyli...)
Affinity DataIC50: 3.02E+3nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32860BDBM32860(cid_2312658 | [4-[(E)-3-azanyl-2-cyano-3-oxidanyli...)
Affinity DataIC50: 3.61E+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