BDBM50221120 1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL393576::N-(1-aminoethyl)-N-[(1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-3-fluorophenyl)-3-methylbutyl]amine

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

InChI Key InChIKey=CGANDSYNDFLFKG-RRPNLBNLSA-N

Data  12 KI  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50221120   

TargetMelanocortin receptor 4(Mus musculus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  0.710nMAssay Description:Binding affinity at mouse MC4RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Mus musculus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  0.710nMAssay Description:Binding affinity to mouse MC4RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  0.940nMAssay Description:Binding affinity at human MC4RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  1nMAssay Description:Binding affinity at rat MC4RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 3(Mus musculus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  180nMAssay Description:Binding affinity at mouse MC3RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 3(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  240nMAssay Description:Binding affinity at rat MC3RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  720nMAssay Description:Agonist activity at GHSRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 3(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  750nMAssay Description:Binding affinity at human MC3RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 3(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  750nMAssay Description:Displacement of [125I]NDPMSH from human MC3R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 5(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  850nMAssay Description:Displacement of [125I]NDPMSH from human MC5R expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 5(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataKi:  850nMAssay Description:Binding affinity at human MC5RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataIC50:  21nMAssay Description:Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataIC50:  21nMAssay Description:Antagonist activity at human MC4R expressed in HEK293 cells assessed as inhibition of alpha-MSH-stimulated cAMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataEC50:  79nMAssay Description:Agonist activity at ghrelin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataEC50:  79nMAssay Description:Agonist activity at GHSRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50221120(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of microsomal CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed