BDBM50049985 2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-phenyl-thiazole-4-carboxylic acid::CHEMBL435537

SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(s1)-c1ccccc1

InChI Key InChIKey=KMLVRJBGQLOTRQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50049985   

TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50049985(2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of Endothelin-1 binding to Endothelin A receptor binding sites in MMQ cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50049985(2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Endothelin-3 (ET-3) binding to Endothelin B receptor binding sites in porcine cerebellar membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed