BDBM21406 4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide::N-Benylpiperazine derivative, 23a

SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1

InChI Key InChIKey=GVUHBRBKGLCYFC-SSEXGKCCSA-N

Data  2 KI  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 = 21406   

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

LigandPNGBDBM21406(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Affinity DataKi:  2.60nM ΔG°:  -11.7kcal/mole EC50:  1.10E+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 DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21406(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Affinity DataKi:  39.8nM EC50:  1.70E+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 DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21406(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Affinity DataEC50:  1.10E+3nMAssay Description:Inhibition of Bcl-XLMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed