BDBM473844 1-((4-(4-chloro-3,5- dimethylphenoxy) phenyl) sulfonyl)-1,2,3,4- tetrahydroquinoline- 6-carboxylic acid::US10858316, Compound LC-3-012

SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCCc3cc(ccc23)C(O)=O)cc(C)c1Cl

InChI Key InChIKey=KQLSOYSLAVZLOS-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 473844   

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

US Patent
LigandPNGBDBM473844(1-((4-(4-chloro-3,5- dimethylphenoxy) phenyl) sulf...)
Affinity DataKi:  332nMAssay 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

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

US Patent
LigandPNGBDBM473844(1-((4-(4-chloro-3,5- dimethylphenoxy) phenyl) sulf...)
Affinity DataKi:  2.73E+3nMAssay Description:Binding affinity to MCL-1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetBcl-2-like protein 1(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM473844(1-((4-(4-chloro-3,5- dimethylphenoxy) phenyl) sulf...)
Affinity DataKi:  3.56E+3nMAssay Description:Binding affinity to BCL-xL (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed