BDBM45735 1-(2-tosylethyl)-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine::1-[2-(4-methylphenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine::1-{2-[(4-methylphenyl)sulfonyl]ethyl}-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine::MLS000830771::SMR000458192::cid_2810704

SMILES Cc1ccc(S(=O)(=O)CCN2C=CC(C(F)(F)F)=NCC2)cc1

InChI Key InChIKey=CKOJKUOVUDKDDH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45735   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45735BDBM45735(1-{2-[(4-methylphenyl)sulfonyl]ethyl}-5-(trifluoro...)
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