BDBM473876 3-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylphenyl- sulfonamido) benzoic acid::US10858316, Compound 4jc177-5

SMILES CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1

InChI Key InChIKey=FGRMCSLYKQZQLA-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 473876   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM473876(3-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...)
Affinity DataKi:  1.45E+3nMAssay Description:Inhibition of FITC-labelled BAK BH3 peptide to 6His-MBP tagged recombinant human MCL-1 (172 to 327 residues) expressed in Escherichia coli assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM473876(3-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...)
Affinity DataKi:  1.45E+3nMAssay Description:Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2021
Entry Details
US Patent