BDBM21447 4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide::ABT-737::CHEMBL376408::N-Benylpiperazine derivative, 2::US11760752, Compound ABT-737::US9125913, ABT-737

SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key InChIKey=HPLNQCPCUACXLM-PGUFJCEWSA-N

Data  34 KI  33 IC50  5 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 72 hits for monomerid = 21447   

TargetBcl-2-like protein 1(Mus musculus (Mouse))
Abbvie

US Patent
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  0.0800nMAssay Description:The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetApoptosis regulator Bcl-2(Mus musculus (Mouse))
Abbvie

US Patent
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  0.0880nMAssay Description:The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <0.5nM IC50: <60nM EC50:  30nMAssay 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
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interactionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nM EC50:  8nMAssay 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

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Inhibition of Bcl-xL (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 2(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Inhibition of Bcl-w (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Inhibition of Bcl-xL (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <1nMAssay Description:Inhibition of Bcl-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  1nMAssay Description:Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  1nMAssay Description:Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  1nMAssay Description:Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-casein(Bos taurus (bovine))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >1nMAssay Description:Binding affinity to bovine beta-casein A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >1nMAssay Description:Binding affinity to induced myeloid leukemia cell differentiation protein 1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 10 [11-204](Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >1nMAssay Description:Binding affinity to Bcl-b (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  3.40nMAssay 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 DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  8nMAssay Description:Binding affinity to BCl2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  30nMAssay Description:Binding affinity to Bcl-xlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <40nMAssay Description:Inhibition of BCL-xL (unknown origin) by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <40nMAssay Description:Inhibition of BCL-2 (unknown origin) by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <40nMAssay Description:The fluorescence polarization assays were performed in 96 well polypropylene F-bottom black microplates (Greiner Bio-One) with a final volume of 100 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University Of Maryland, Baltimore

US Patent
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: <40nMAssay Description:The fluorescence polarization assays were performed in 96 well polypropylene F-bottom black microplates (Greiner Bio-One) with a final volume of 100 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  188nMAssay Description:Inhibition of recombinant His6-tagged Bcl-XL expressed in Escherichia coli BL21 (DE3) and Flu-Bak peptide interaction by fluorescence polarization as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  283nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  284nMAssay Description:Inhibition of Bcl-xL (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 2(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  285nMAssay Description:Inhibition of Bcl-w (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >2.00E+4nMAssay Description:Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >2.00E+4nMAssay Description:Binding affinity to Mcl-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >2.00E+4nMAssay Description:Binding affinity to Bcl2A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >2.00E+4nMAssay Description:Binding affinity to Mcl-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi:  2.08E+4nMAssay Description:Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKi: >1.00E+5nMAssay Description:Binding affinity to Mcl-1 by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University Of Maryland, Baltimore

US Patent
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  5nMpH: 7.4 T: 2°CAssay Description:Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50: >1.00E+4nMpH: 7.4 T: 2°CAssay Description:Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University Of Maryland, Baltimore

US Patent
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  14nMpH: 7.4Assay Description:The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  14nMpH: 7.4Assay Description:The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 2(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  66nMpH: 7.4Assay Description:The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50: >1.00E+4nMpH: 7.4Assay Description:The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  3nMAssay Description:Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 2(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  40nMAssay Description:Displacement of wild type mBimBH3 from human Bcl-w by solution competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  6nMAssay Description:Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50: >1.00E+3nMAssay Description:Displacement of wild type mBimBH3 from Mcl-1 by solution competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataKd:  0.370nMAssay Description:Binding affinity to Bcl-XlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  6.10nMAssay Description:Displacement of wild type mBimBH3 from human Bcl-2 by solution competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
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 DepthDetails ArticlePubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
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 DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Institut De Chimie Des Substances Naturelles

Curated by ChEMBL
LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM21447(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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