BDBM50135699 (10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,15-tetramethyl-19-(R)-methyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid::(5R,8S,11R,12S,15S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid::CHEMBL421377

SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O

InChI Key InChIKey=DIAQQISRBBDJIM-DRSCAGMXSA-N

Data  4 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 4 hits for monomerid = 50135699   

TargetSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoform(Bos taurus)
University Of California Irvine

Curated by ChEMBL
LigandPNGBDBM50135699((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Affinity DataIC50:  3nMAssay Description:Inhibitory concentration against protein phosphatase 2A (PP2A) using pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein phosphatase 1B(Homo sapiens (Human))
University Of California Irvine

Curated by ChEMBL
LigandPNGBDBM50135699((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Affinity DataIC50:  3nMAssay Description:Inhibitory concentration of the compound against protein phosphatase 2A (PP2A) using phosphorylase-a assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoform(Bos taurus)
University Of California Irvine

Curated by ChEMBL
LigandPNGBDBM50135699((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Affinity DataIC50:  0.300nMAssay Description:Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein phosphatase 1B(Homo sapiens (Human))
University Of California Irvine

Curated by ChEMBL
LigandPNGBDBM50135699((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Affinity DataIC50:  0.300nMAssay Description:Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed