BDBM33461 2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfinyl)acetic acid::2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfinylethanoic acid::2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfinylacetic acid::2-[2-keto-2-[(4-methylbenzyl)amino]ethyl]sulfinylacetic acid::MLS000594371::SMR000126551::cid_3809586

SMILES Cc1ccc(CNC(=O)CS(=O)CC(O)=O)cc1

InChI Key InChIKey=CUWXNCKFXYYJLE-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 = 33461   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33461BDBM33461(MLS000594371 | 2-[2-[(4-methylphenyl)methylamino]-...)
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 Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay