null

SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1

InChI Key InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50061101   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  6.5nMAssay Description:Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C24VJRPubMed
TargetEndothelin-1 receptor(RAT)
Encysive Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  6.5nMAssay Description:Binding affinity towards Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7WD6PubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  8nMAssay Description:Inhibitory activity against human endothelin A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348M3RPubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  80nMAssay Description:Inhibitory activity against human endothelin B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  102nMMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  134nMMore data for this Ligand-Target Pair
TargetEndothelin receptor type B(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  340nMAssay Description:Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin B receptorMore data for this Ligand-Target Pair
TargetBile salt export pump(Rattus norvegicus)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50061101(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)copy SMILEScopy InChI
Affinity DataKi:  1.20E+4nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cellMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QV3QCHPubMed