BDBM19247 2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]butanamide::Racemic mixture::arylisothiocyanato derivative, 31

SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=MBCNDSMLFINWKN-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 19247   

TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Tennessee Health Science Center

LigandPNGBDBM19247(2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...)
Affinity DataKi:  31.8nM ΔG°:  -9.50kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
University Of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM19247(2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
University Of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM19247(2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed