BDBM50221110 2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-3-methylbutylamino)acetic acid::CHEMBL396433

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

InChI Key InChIKey=GGRHVKPDRUOVCO-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50221110   

TargetMelanocortin receptor 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221110(2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Affinity DataIC50: 460nMAssay Description:Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221110(2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Affinity DataIC50: 5.00E+4nMAssay 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
LigandPNGBDBM50221110(2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Affinity DataKi:  27nMAssay Description:Binding affinity at human MC4RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed