BDBM50221125 3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-3-fluorophenyl)-3-methylbutyl)propanamide::CHEMBL397580

SMILES CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key InChIKey=AVPONLNZIPJOOI-UHFFFAOYSA-N

Data  3 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 5 hits for monomerid = 50221125   

TargetMelanocortin receptor 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221125(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Affinity DataIC50: 480nMAssay 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
LigandPNGBDBM50221125(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Affinity DataIC50: 6.70E+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
LigandPNGBDBM50221125(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity at human MC4RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMelanocortin receptor 3(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221125(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity at human MC3RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMelanocortin receptor 5(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221125(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Affinity DataKi:  1.30E+3nMAssay Description:Binding affinity at human MC5RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed