BDBM45323 (4Z)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione::(4Z)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-[2-(4-morpholinyl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione::(4Z)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholinoethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone::(4Z)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione::MLS000077950::SMR000041902::cid_5389298

SMILES Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1

InChI Key InChIKey=VCMWLRUOJIZVSS-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 = 45323   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45323BDBM45323(cid_5389298 | (4Z)-4-[hydroxy-(5-methyl-1-phenylpy...)
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