BDBM50045227 (S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamino)-5-amino-pentanoylamino]-N-{(S)-1-[(S)-1-((S)-carboxy-2-(S)-1-1H-indol-3-yl-ethylcarbamoyl)-2-(S)-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid::Ac-D-Phe-Orn-Asp-Ile-Ile-Trp::CHEMBL2370070

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=WXVKATPLQWNUHO-POYKSISPSA-N

Data  5 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 5 hits for monomerid = 50045227   

TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50045227((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Affinity DataIC50:  750nMAssay Description:Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin receptor type B(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50045227((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Affinity DataIC50:  4.00E+3nMAssay Description:Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellumMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin receptor type B/1 receptor(RAT)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50045227((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Affinity DataIC50:  680nMAssay Description:Binding affinity against Endothelin receptor from rat heart ventricleMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50045227((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Affinity DataIC50:  2.45E+3nMAssay Description:Effective concentration against Endothelin B receptor from rat cerebellumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50045227((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Affinity DataIC50:  2.45E+3nMAssay Description:Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed