BDBM203871 7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 7::Mcl-1 inhibitor 7

SMILES Cc1c(c(COc2cccc(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O

InChI Key InChIKey=XEIVCDDCSGGZSG-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 203871   

LigandPNGBDBM203871(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataIC50: 60nMAssay 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
In Depth
Date in BDB:
8/8/2020
Entry Details Article
PubMed
LigandPNGBDBM203871(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataIC50: 60nMAssay Description:Inhibition of MCL-1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM203871(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataEC50: >1.10E+4nMAssay Description:Inhibition of MCL-1 in human MOLP8 cells assessed as increase in caspase 3/7 activationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [171-327](Human)
Oncology Innovative Medicines Unit

LigandPNGBDBM203871(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataKi:  16nM ΔG°:  -10.6kcal/mole IC50: 59.5nMpH: 7.4 T: 2°CAssay Description:Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 10 uM compound concentration. The assay was performed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2016
Entry Details Article
PubMed