BDBM50158179 CHEMBL3780070::US10858316, Compound 3z

SMILES COc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1

InChI Key InChIKey=ZOTRJUGQJUBTPH-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50158179   

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

Curated by ChEMBL
LigandPNGBDBM50158179(CHEMBL3780070 | US10858316, Compound 3z)
Affinity DataKi:  1.19E+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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50158179(CHEMBL3780070 | US10858316, Compound 3z)
Affinity DataKi:  1.19E+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
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
University Of Maryland, Baltimore

US Patent
LigandPNGBDBM50158179(CHEMBL3780070 | US10858316, Compound 3z)
Affinity DataKi:  7.19E+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