BDBM33478 MLS000568095::N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide::SMR000154363::cid_9551871

SMILES CC(C)C(C)(NC(=O)CSc1nnc(n1C)C(F)(F)F)C#N

InChI Key InChIKey=PNASGHGYIRUXOX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 33478   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33478(MLS000568095 | N-(1-cyano-1,2-dimethyl-propyl)-2-[...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay