BDBM50158186 CHEMBL3781396::US10858316, Compound 3bc

SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1

InChI Key InChIKey=VMBIXOHMKNNCGS-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50158186   

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

Curated by ChEMBL
LigandPNGBDBM50158186(CHEMBL3781396 | US10858316, Compound 3bc)
Affinity DataKi:  335nMAssay 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
LigandPNGBDBM50158186(CHEMBL3781396 | US10858316, Compound 3bc)
Affinity DataKi:  335nMAssay 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
LigandPNGBDBM50158186(CHEMBL3781396 | US10858316, Compound 3bc)
Affinity DataKi:  840nMAssay 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