BDBM50158168 CHEMBL3780113::US10858316, Compound 3o

SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br

InChI Key InChIKey=PNQLIFYZRPXTNT-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50158168   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50158168(CHEMBL3780113 | US10858316, Compound 3o)
Affinity DataKi:  420nMAssay 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 DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50158168(CHEMBL3780113 | US10858316, Compound 3o)
Affinity DataKi:  420nMAssay 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 DepthDetails US Patent
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM50158168(CHEMBL3780113 | US10858316, Compound 3o)
Affinity DataKi:  2.31E+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 DepthDetails US Patent