BDBM21400 CHEMBL192571::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide::Phenylpiperidine, 1a

SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1

InChI Key InChIKey=DWEHITNKTMMZBR-UHFFFAOYSA-N

Data  8 KI  5 Kd  4 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 15 hits for monomerid = 21400   

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

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataEC50:  5.10E+3nMAssay Description:Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of 3% fetal bovine serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBcl-2-like protein 2(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKd:  459nMAssay Description:Binding affinity to BclwMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataEC50:  470nMAssay Description:Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of gelatinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to Mcl1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlbumin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKd:  1.36E+4nMAssay Description:Binding affinity for human serum albumin domain IIIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetBcl-2-related protein A1(Human)
University of Washington

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKd: >1.00E+3nMAssay Description:Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  0.800nM ΔG°:  -12.4kcal/mole EC50:  470nMpH: 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
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to Bcl-XL by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to Bcl-xlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  6.30nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  62nMAssay Description:Binding affinity to BCl2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  67nM EC50:  2.20E+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
TargetApoptosis regulator Bcl-2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  67nMAssay Description:Binding affinity to Bcl2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM21400(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  360nMAssay Description:Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed