BDBM50158180 CHEMBL3780580::US10858316, Compound 3aa

SMILES CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1

InChI Key InChIKey=GAFKJJDSRCPPQF-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 = 50158180   

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

US Patent
LigandPNGBDBM50158180(CHEMBL3780580 | US10858316, Compound 3aa)
Affinity DataKi:  5.40E+4nMAssay 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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM50158180(CHEMBL3780580 | US10858316, Compound 3aa)
Affinity DataKi:  5.40E+4nMAssay 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