BDBM21423 4-Piperidinebenzylidene derivative, 10b::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{4-[(2-fluorophenyl)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]/c1ccccc1F

InChI Key InChIKey=BSTFFLGHKSOULK-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 = 21423   

TargetBcl-2-like protein 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM21423(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataEC50:  250nMAssay Description:Inhibition of Bcl-XLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
University of Palermo

Curated by ChEMBL
LigandPNGBDBM21423(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi: <0.5nM ΔG°: <-12.7kcal/mole IC50: 750nM EC50:  250nMpH: 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

LigandPNGBDBM21423(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  2.5nM EC50:  350nMAssay 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