BDBM45533 (4Z)-1-ethyl-4-(2-furanylmethylidene)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester::(4Z)-1-ethyl-4-(2-furfurylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester::MLS000576641::SMR000197109::cid_2300736::methyl (4Z)-1-ethyl-4-(furan-2-ylmethylidene)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate::methyl (4Z)-1-ethyl-4-(furan-2-ylmethylidene)-2-methyl-5-oxopyrrole-3-carboxylate::methyl 1-ethyl-4-(2-furylmethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

SMILES CCN1C(C)=C(C(=O)OC)\C(=C\c2ccco2)C1=O

InChI Key InChIKey=NPYZARSEJHVMRF-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 = 45533   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45533BDBM45533(methyl 1-ethyl-4-(2-furylmethylene)-2-methyl-5-oxo...)
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