BDBM50221122 CHEMBL441136::N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-fluorophenyl)-3-methylbutyl)-2-(methylamino)acetamide

SMILES CNCC(=O)N[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key InChIKey=ZVXDTQBHPOHGTP-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50221122   

TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221122(N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of microsomal CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221122(N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Affinity DataKi:  6nMAssay Description:Binding affinity at human MC4RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed