BDBM50224181 1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine::CHEMBL427860::N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpropanoyl)piperazin-1-yl)-5-methylphenyl)-2-methylpropyl)-3-(dimethylamino)propanamide

SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1

InChI Key InChIKey=FRHBHVROLQSPMW-UHFFFAOYSA-N

Data  8 KI  7 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 15 hits for monomerid = 50224181   

TargetMelanocortin receptor 4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 35nMAssay Description:Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP releaseMore 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 35nMAssay Description:Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  2.80nMAssay Description:Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cellsMore 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  2.80nMAssay Description:Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Mouse)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  3.20nMAssay Description:Binding affinity at mouse MC4RMore 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  340nMAssay Description:Displacement of [125I]NDP-MSH from human MC5RMore 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  420nMAssay Description:Displacement of [125I]NDP-MSH from human MC3RMore 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
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  590nMAssay Description:Displacement of [125I]NDP-MSH from human MC3R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  680nMAssay Description:Inhibition of ghrelin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMelanocortin receptor 5(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50224181(N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpro...)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed