BDBM50080597 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl-phenylcarbamoyl)-methyl]-2-[4-(2-methoxy-ethoxy)-phenyl]-pyrrolidine-3-carboxylic acid::CHEMBL331625

SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key InChIKey=YPCZZHQNKFJAOP-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50080597   

TargetEndothelin-1 receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50080597((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Affinity DataIC50: 4.20E+3nMAssay Description:Binding affinity towards human Endothelin A receptor (hET -A)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
LigandPNGBDBM50080597((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Affinity DataIC50: 1.10nMAssay Description:Binding affinity towards human Endothelin B receptor (hET -B)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
LigandPNGBDBM50080597((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Affinity DataIC50: 4.20E+3nMAssay Description:Binding affinity towards human Endothelin A receptor (hET -A)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
LigandPNGBDBM50080597((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Affinity DataIC50: 1.10nMAssay Description:Binding affinity towards human Endothelin B receptor (hET -B)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed