BDBM50066412 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(2-[1,3]dithiolan-2-yl-ethyl)-pyrrolidine-3-carboxylic acid::CHEMBL430683

SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC1SCCS1)C(O)=O)c1ccc2OCOc2c1

InChI Key InChIKey=CJBDUYWFKOIDFK-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50066412   

TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50066412((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Affinity DataIC50: 4.5nMAssay Description:Binding affinity for endothelin A receptor by measuring its ability to displace [125I]ET1 from prolactin secreting rat pituitary cells(MMQ)More 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
LigandPNGBDBM50066412((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Affinity DataIC50: 2.93E+4nMAssay Description:Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed