BDBM203873 7-(3-((4-Boronophenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid, 9::Mcl-1 inhibitor 9

SMILES CC1C(C(COc2ccc(cc2)B(O)O)NN1C)c1cccc2C(CCCOc3cccc4ccccc34)C(Nc12)C(O)=O

InChI Key InChIKey=WSYVVXHNGMBHFS-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 1 hit for monomerid = 203873   

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

LigandPNGBDBM203873(7-(3-((4-Boronophenoxy)methyl)-1,5-dimethyl-1H-pyr...)
Affinity DataKi:  44nM ΔG°:  -10.0kcal/mole IC50:  162nMpH: 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