BDBM45713 (4Z)-4-(4-methoxy-3-nitro-benzylidene)-2-methyl-2-oxazolin-5-one::(4Z)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-2-methyl-1,3-oxazol-5-one::(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-1,3-oxazol-5-one::(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxazolone::4-[1-(4-Methoxy-3-nitro-phenyl)-meth-(Z)-ylidene]-2-methyl-4H-oxazol-5-one::MLS000769212::SMR000433946::cid_1920706

SMILES COc1ccc(\C=C2/N=C(C)OC2=O)cc1[N+]([O-])=O

InChI Key InChIKey=AVHSXBWDROAZHU-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 = 45713   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45713BDBM45713(MLS000769212 | 4-[1-(4-Methoxy-3-nitro-phenyl)-met...)
Affinity DataIC50: 1.26E+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