BDBM50158353 CHEMBL3780803::US10858316, Compound 3bj

SMILES CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12

InChI Key InChIKey=MVJAELKNEUGDEQ-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 = 50158353   

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

Curated by ChEMBL
LigandPNGBDBM50158353(CHEMBL3780803 | US10858316, Compound 3bj)
Affinity DataKi:  80nMAssay 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
LigandPNGBDBM50158353(CHEMBL3780803 | US10858316, Compound 3bj)
Affinity DataKi:  80nMAssay 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
LigandPNGBDBM50158353(CHEMBL3780803 | US10858316, Compound 3bj)
Affinity DataKi:  170nMAssay 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