BDBM53401 (3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phenyl)-7-ethyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxyphenyl)-7-ethyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-3-(3-chloranyl-4-methoxy-phenyl)-7-ethyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::(3R,3aS,7R,7aS)-3-(3-chloro-4-methoxyphenyl)-7-ethyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one::MLS000882828::PiA::SMR000465391::cid_16746348

SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1

InChI Key InChIKey=FDZQAUSVEAGJOV-FUAMJQMHSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 53401   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM53401((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...)
Affinity DataEC50:  4.06E+3nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPeptidyl-prolyl cis-trans isomerase ESS1(Saccharomyces cerevisiae (Baker's yeast))
Tohoku University

LigandPNGBDBM53401((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...)
Affinity DataIC50:  2.00E+3nMpH: 7.0 T: 2°CAssay Description:Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed