BDBM50050964 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenesulfonylamino)-2-oxo-ethoxy]-3-propyl-benzoic acid::CHEMBL8978::L-754142

SMILES CCCc1cc(ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1)C(O)=O

InChI Key InChIKey=JPPYWKVKLSBQJM-UHFFFAOYSA-N

Data  2 KI  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 8 hits for monomerid = 50050964   

TargetEndothelin-1 receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  0.130nMAssay 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(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  0.130nMAssay Description:Binding affinity to ETA receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEndothelin-1 receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataIC50: 0.260nMAssay 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 receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataIC50: 4.40nMAssay Description:Ability to displace endothelin ([125I]ET1) from 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
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  5.40nMAssay Description:Binding affinity to ETB receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEndothelin receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  5.40nMAssay Description:Inhibitory activity against human Endothelin B 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(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  34nMAssay Description:Displacement of [125I]endhothelin-1 from human ETA receptor stably expressed in CHO cells Membrane assessed as inhibition constant at 25 degC incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEndothelin receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50050964(L-754142 | 4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isoprop...)
Affinity DataKi:  1.42E+3nMAssay Description:Displacement of [125I]endhothelin-3 from human ETB receptor stably expressed in CHO cells Membrane assessed as inhibition constant at 25 degC incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed