BDBM50304961 2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrrolidin-3-yl)(2-methylbenzyl)amino)benzonitrile::CHEMBL600466

SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1

InChI Key InChIKey=WEGADTMKEWZTLK-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50304961   

TargetProgesterone receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50304961(2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...)
Affinity DataIC50: 32nMAssay Description:Inhibition of PRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetProgesterone receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50304961(2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at PR in human T47D cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50304961(2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50304961(2-chloro-4-(((S)-1-((S)-2-hydroxypropanoyl)pyrroli...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed