BDBM50058126 2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide::2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide (Sitaxsentan)::2-{[3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-5-methyl-benzoic acid isopropyl ester::CHEMBL282724::Sitaxentan

SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl

InChI Key InChIKey=PHWXUGHIIBDVKD-UHFFFAOYSA-N

Data  2 KI  9 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 11 hits for monomerid = 50058126   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Immunopharmaceutics

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataKi:  0.430nMAssay Description:Binding affinity against human Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(RAT)
Encysive Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataKi:  0.430nMAssay Description:Binding affinity towards Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Immunopharmaceutics

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  1.40nMAssay Description:Inhibitory concentration was determined against selective Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  4.54E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Immunopharmaceutics

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  1.40nMAssay Description:Inhibitory concentration towards Endothelin A receptor in humanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Encysive Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  9.80nMAssay Description:Inhibitory concentration towards endothelin B receptor in humanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  1.26E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  2.84E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Encysive Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  9.80E+3nMAssay Description:In vitro inhibition of endothelin binding to human Endothelin B receptor using [125I]-labeled ET-1 competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Immunopharmaceutics

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  1.40nMAssay Description:In vitro inhibition of endothelin binding to human Endothelin A receptor using [125I]-labeled ET-1 competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(RAT)
Encysive Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50058126(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Affinity DataIC50:  1.40nMAssay Description:Inhibitory concentration towards endothelin A receptor in rat.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed