BDBM21412 4-(4-butyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide::4-Alkyl-4-methoxypiperidine derivative, 8c

SMILES CCCCC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC

InChI Key InChIKey=PKTRSCZRZRTGKO-UHFFFAOYSA-N

Data  2 KI  1 IC50  2 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 2 hits for monomerid = 21412   

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

LigandPNGBDBM21412(4-(4-butyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-4...)
Affinity DataKi:  1.30nM ΔG°:  -12.1kcal/mole IC50: 312nM EC50:  8.00E+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

LigandPNGBDBM21412(4-(4-butyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-4...)
Affinity DataKi:  20nM EC50:  3.00E+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