BDBM21427 4-Piperidinebenzylidene derivative, 10f::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4-{[4-(trifluoromethyl)phenyl]methylidene}piperidin-1-yl)benzamide

SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=KQOTWKLYUJWKND-UHFFFAOYSA-N

Data  2 KI  1 IC50  3 EC50

  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 = 21427   

TargetBcl-2-like protein 1(Human)
Abbott Laboratories

LigandPNGBDBM21427(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  1.40nM ΔG°:  -12.1kcal/mole IC50: 1.30E+3nM EC50:  2.60E+3nMpH: 7.4 T: 2°CAssay Description:The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2008
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Abbott Laboratories

LigandPNGBDBM21427(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  9.40nM EC50:  3.60E+3nMAssay Description:The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2008
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

LigandPNGBDBM21427(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataEC50:  2.60E+3nMAssay Description:Inhibition of Bcl-XLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed