BDBM50158356 CHEMBL3781019::US10858316, Compound 3ca

SMILES CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12

InChI Key InChIKey=MXXUPNJVBGWYEK-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 = 50158356   

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

Curated by ChEMBL
LigandPNGBDBM50158356(CHEMBL3781019 | US10858316, Compound 3ca)
Affinity DataKi:  566nMAssay 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
LigandPNGBDBM50158356(CHEMBL3781019 | US10858316, Compound 3ca)
Affinity DataKi:  566nMAssay 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