BDBM50158178 CHEMBL3781692::US10858316, Compound 3y

SMILES CC(C)c1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1

InChI Key InChIKey=ARMZPDQJZRAVKH-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158178   

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

Curated by ChEMBL
LigandPNGBDBM50158178(CHEMBL3781692 | US10858316, Compound 3y)
Affinity DataKi:  3.86E+3nMAssay Description:Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50158178(CHEMBL3781692 | US10858316, Compound 3y)
Affinity DataKi:  3.86E+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
Go to US Patent