BDBM50080622 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(2-methyl-1-phenyl-propylcarbamoyl)-methyl]-pyrrolidine-3-carboxylic acid; TFA::CHEMBL121647::CHEMBL366441

SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O

InChI Key InChIKey=DASGRKPWAFYAFD-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50080622   

TargetEndothelin-1 receptor(Rat)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50080622(CHEMBL366441 | CHEMBL121647 | (2R,3R,4S)-4-Benzo[1...)
Affinity DataIC50: 0.700nMAssay Description:Ability to displace [125I]ET1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50080622(CHEMBL366441 | CHEMBL121647 | (2R,3R,4S)-4-Benzo[1...)
Affinity DataIC50: 0.700nMAssay Description:Binding ability determined by the displacement of [125I]ET1 from the human endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50080622(CHEMBL366441 | CHEMBL121647 | (2R,3R,4S)-4-Benzo[1...)
Affinity DataIC50: 2.10nMAssay Description:Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed