BDBM45357 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide::2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)ethanamide::2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2,3-dimethylphenyl)acetamide::2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(2,3-dimethylphenyl)acetamide::MLS000053330::SMR000067584::cid_2119828

SMILES Cc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C

InChI Key InChIKey=PKULWLFWWCBXBH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45357   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45357BDBM45357(2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2,3-d...)
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