BDBM50208819 2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulfamoyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline-7-sulfonic acid phenethylamide::CHEMBL376055

SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O

InChI Key InChIKey=MSGQUTXPOGRULO-UHFFFAOYSA-N

Data  3 KI  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50208819   

TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50208819(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Affinity DataKi:  110nMAssay Description:Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50208819(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Affinity DataKi:  150nMAssay Description:Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50208819(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Affinity DataKi:  638nMAssay Description:Displacement of FAM-Bak BH3 peptide from human Bcl-xL by FP-based binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50208819(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Affinity DataIC50:  39nMAssay Description:Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Mcl1 by ELISA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50208819(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)
Affinity DataIC50:  330nMAssay Description:Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Bcl2 by ELISA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed