BDBM50000554 3-[(2S,5R,8S,11R,14S)-14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propionic acid::CHEMBL432683

SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C

InChI Key InChIKey=VKWWONDOCUPZRG-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50000554   

TargetEndothelin-1 receptor(Pig)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000554(CHEMBL432683 | 3-[(2S,5R,8S,11R,14S)-14-(1H-Indol-...)
Affinity DataIC50: 1.40E+3nMAssay Description:Compound was evaluated for the binding affinity to Endothelin A receptor in the porcine aortic smooth muscleMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Pig)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000554(CHEMBL432683 | 3-[(2S,5R,8S,11R,14S)-14-(1H-Indol-...)
Affinity DataIC50: 3.00E+3nMAssay Description:The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000554(CHEMBL432683 | 3-[(2S,5R,8S,11R,14S)-14-(1H-Indol-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Compound was evaluated for the binding affinity to Endothelin B receptor in the porcine cerebellum.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed