BDBM50214696 1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifluoromethylphenyl]piperazin-1-yl}-1-(2,4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one::CHEMBL236940

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

InChI Key InChIKey=YXPCHDOWVWAKKP-UHFFFAOYSA-N

Data  4 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 6 hits for monomerid = 50214696   

TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataIC50: 4.90E+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
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataIC50: 360nMAssay 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
TargetMelanocortin receptor 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataKi:  4.5nMAssay 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 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataKi:  4.5nMAssay Description:Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cellsMore 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
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataKi:  250nMAssay Description:Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cellsMore 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
LigandPNGBDBM50214696(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Affinity DataKi:  640nMAssay Description:Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed