BDBM50111445 (S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methyl)-3-(cyclohexylmethyl)-9-(3-guanidinopropyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl)-2-acetamido-3-phenylpropanamide::Ac-Phe-[Orn-Pro-cha-Trp-Arg]::CHEMBL41547::[1-[1-(6-Carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)-ethyl]-carbamic acid 3-amino-benzyl ester

SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key InChIKey=YOKBGCTZYPOSQM-HPSWDUTRSA-N

Data  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50111445   

TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  104nMAssay Description:Inhibition of C5a binding to human C5aR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  29nMAssay Description:Antagonist activity at human C5aR in CD88 transfected RBL cells assessed as inhibition of C5a-induced glucosaminidase releaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  31nMAssay Description:Antagonist activity at human C5aR expressed in human PMN cells assessed as inhibition of glucosaminidase releaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  15nMAssay Description:Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  87nMAssay Description:Binding affinity to NK2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  30nMAssay Description:Antagonist activity at C5aR1 in human PMNMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  740nMAssay Description:Binding affinity to V1a receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  400nMAssay Description:Binding affinity to MC4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  15nMAssay Description:Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  300nMAssay Description:Antagonist activity against the C5a receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  20nMAssay Description:Antagonist activity at C5aR1 in HMDMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50111445((S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methy...)
Affinity DataIC50:  2.20E+3nMAssay Description:Binding affinity to ORL1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed