BDBM45601 MLS000408953::N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide::N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-2-phenylacetamide::N-(2,5-dimethylphenyl)-2-[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]-2-phenyl-acetamide::N-(2,5-dimethylphenyl)-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-ethanamide::SMR000263931::cid_4172178

SMILES COc1ccc(Nc2nnc(SC(C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cc1

InChI Key InChIKey=RZRJNQVOICXSBN-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45601   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45601BDBM45601(cid_4172178 | SMR000263931 | N-(2,5-dimethylphenyl...)
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