BDBM45413 2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-ethoxy-anilino)-N-(3-fluorophenyl)acetamide::2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]-N-(3-fluorophenyl)ethanamide::2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-fluorophenyl)acetamide::2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino]-N-(3-fluorophenyl)acetamide::MLS000117390::SMR000094340::cid_5307744

SMILES CCOc1ccc(cc1)N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C

InChI Key InChIKey=SCHAXPQHOGRLLW-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45413   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45413BDBM45413(2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethox...)
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:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45413BDBM45413(2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethox...)
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