BDBM45414 MLS000117370::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-anilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-amino]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methoxy-N-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]anilino]acetamide::SMR000094320::cid_5307831

SMILES COc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)nn(C)c1C

InChI Key InChIKey=SXXXIEIYMIJFQE-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 = 45414   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45414BDBM45414(SMR000094320 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
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