BDBM45421 MLS000117394::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-ethoxy-anilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino]acetamide::SMR000094344::cid_5309870

SMILES CCOc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)noc1C

InChI Key InChIKey=XLULZGUPCZTUOV-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 = 45421   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45421BDBM45421(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-di...)
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