BDBM50000566 (S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-((S)-1-{(S)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid::(S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-{(S)-1-[(S)-(S)-1-((S)-1-carboxy-2-(S)-1H-indol-3-yl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid::3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid::CHEMBL289687

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=NGCFKFBXSAWULW-UHFFFAOYSA-N

Data  9 IC50

  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 9 hits for monomerid = 50000566   

TargetEndothelin-1 receptor(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 8.90E+3nMAssay Description:Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 9.10E+3nMAssay Description:Effective concentration against Endothelin B receptor from rat cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 9.50E+3nMAssay 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 Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [125I]ET1 from Endothelin B receptor of rat cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetEndothelin-1 receptor(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin-1 receptor(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 3.70E+3nMAssay Description:Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B/1 receptor(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 4.50E+3nMAssay Description:Binding affinity against Endothelin receptor from rat heart ventricleMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B/1 receptor(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000566((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Affinity DataIC50: 4.10E+3nMAssay Description:Binding affinity against Endothelin receptor from rat heart ventricleMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMed