BDBM45541 MLS000568774::N-[(E)-1-(tert-butylcarbamoyl)-2-[5-(3-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-{1-tert-Butylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide::SMR000174152::cid_1604503

SMILES Cc1ccc(cc1)C(=O)N\C(=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C(=O)NC(C)(C)C

InChI Key InChIKey=WGXNPTNIXGROQI-UHFFFAOYSA-N

Data  3 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 = 45541   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45541BDBM45541(MLS000568774 | N-{1-tert-Butylcarbamoyl-2-[5-(3-ni...)
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