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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 21447   

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
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
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
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
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
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
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
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:Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed