BDBM19239 (2R)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide::arylisothiocyanato derivative, R-23

SMILES C[C@@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=SJWMTXJQSDNMAN-UHFFFAOYSA-N

Data  1 KI

  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 = 19239   

TargetAndrogen receptor(Rat)
University of Tennessee Health Science Center

LigandPNGBDBM19239((2R)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...)
Affinity DataKi:  36.2nM ΔG°:  -9.43kcal/molepH: 7.4 T: 2°CAssay Description:The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2007
Entry Details Article
PubMed