BDBM203869 7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimethyl-1Hpyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 5::Mcl-1 inhibitor 5

SMILES Cc1c(c(COc2ccc(B(O)O)c(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O

InChI Key InChIKey=RMIRRIJMEIKMFL-UHFFFAOYSA-N

Data  1 KI  4 IC50  2 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 203869   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Homo sapiens (Human))
Oncology Innovative Medicines Unit

LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataKi:  0.900nM ΔG°:  -12.3kcal/mole IC50:  3.40nMpH: 7.4 T: 2°CAssay Description:TR-FRET assay was used to assess the ability of compounds to disrupt the interaction between recombinant human Mcl-1 and a labeled BIM peptide probe....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataKd:  0.140nMAssay Description:Binding affinity to MCl-1 (unknown origin) assessed as binding affinity constant for state oneMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataEC50:  460nMAssay Description:Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligandMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of Mcl-1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataIC50:  3.40nMAssay Description:Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligandMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM203869(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)
Affinity DataKd:  0.0180nMAssay Description:Binding affinity to MCl-1 (unknown origin) assessed as binding affinity constant for state twoMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed