BDBM50051007 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::A-127722::CHEMBL9194

SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key InChIKey=MOTJMGVDPWRKOC-UHFFFAOYSA-N

Data  4 KI  17 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 21 hits for monomerid = 50051007   

TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.0800nMAssay Description:Inhibitory activity against human Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.0550nMAssay Description:Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.310nMAssay Description:Displacement of [125I]ET-1 from Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 1.5nMAssay Description:In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Merck

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 110nMAssay Description:In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.310nMAssay 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 receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 88nMAssay Description:Inhibitory activity against human endothelin B 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
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 515nMAssay Description:Binding affinity against endothelin B receptor in porcine cerebellar tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.360nMAssay Description:Binding affinity against Endothelin A receptor in MMQ cells in ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.0340nMAssay 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
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 63.3nMAssay 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
TargetEndothelin-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.0800nMAssay 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-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.0340nMAssay Description:Ability to displace endothelin ([125I]ET1) from human Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.400nMAssay Description:Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]ET1 as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Merck

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 520nMAssay Description:Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Merck

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 191nMAssay Description:Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataIC50: 0.310nMAssay Description:Inhibitory activity against the Endothelin A receptor of rat MMQ cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataKi:  0.0340nMAssay Description:Inhibitory activity against human Endothelin A receptor in chinese hamster ovary cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataKi:  0.0340nMAssay Description:Binding affinity towards Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Centre Hospitalier Universitaire Vaudois (Chuv)

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataKi:  0.0340nMAssay Description:Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50051007(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Affinity DataKi:  0.0470nMAssay Description:binding affinity against human Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed