BindingDB PrimarySearch

BDBM50061101 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide::4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide::BOSENTAN::CHEMBL957::p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide

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

InChI Key: InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N

Data: 8 KI 34 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50061101
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin A receptor				J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Encysive Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards Endothelin A receptor				J Med Chem 47: 1969-86 (2004) Article DOI: 10.1021/jm030528p BindingDB Entry DOI: 10.7270/Q2HD7WD6
Encysive Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human endothelin B receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co., Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 1262-70 (1999) BindingDB Entry DOI: 10.7270/Q2Q52N5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin B receptor				J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Rattus norvegicus)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cell				Clin Pharmacol Ther 69: 223-31 (2001) Article DOI: 10.1067/mcp.2001.114667 BindingDB Entry DOI: 10.7270/Q2QV3QCH
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptor				Bioorg Med Chem Lett 7: 2223-2228 (1997) Article DOI: 10.1016/S0960-894X(97)00400-9 BindingDB Entry DOI: 10.7270/Q2WQ049M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to human ETA receptor				Eur J Med Chem 121: 658-670 (2016) Article DOI: 10.1016/j.ejmech.2016.06.006 BindingDB Entry DOI: 10.7270/Q2T155MF
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid transporter (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Jiaotong University Curated by ChEMBL					Assay Description Inhibition of NTCP in human hepatocytes assessed as reduction in Na+-dependent [3H]taurocholate uptake measured at 45s following compound addition by...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126623
Southwest Jiaotong University Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells				Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)				Bioorg Med Chem Lett 7: 2223-2228 (1997) Article DOI: 10.1016/S0960-894X(97)00400-9 BindingDB Entry DOI: 10.7270/Q2WQ049M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...				Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay 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 ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) assessed as effect on G protein-mediated smooth muscle contraction				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) assessed as increase in G protein-mediated vasoconstriction				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435
ShanghaiTech University Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from ETB receptor in human placenta cell membranes				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from ETB receptor in human placenta cell membranes				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from human placenta ETB receptor				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from human smooth muscle ETA receptor				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from human smooth muscle ETA receptor				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from ETA receptor (unknown origin) expressed in fall armyworm sf9 cell membranes				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from human placenta ETB receptor				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from ETA receptor (unknown origin) expressed in fall armyworm sf9 cell membranes				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Antagonist activity at ET-B receptor (unknown origin)				J Med Chem 59: 8168-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01781
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Antagonist activity at ET-A receptor (unknown origin)				J Med Chem 59: 8168-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01781
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a
National Institutes of Health Chemical Genomics Center Curated by ChEMBL					Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay				Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
Southeast University Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRB (RAT)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
Southeast University Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor ET-A (Sus scrofa)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 7: 2223-2228 (1997) Article DOI: 10.1016/S0960-894X(97)00400-9 BindingDB Entry DOI: 10.7270/Q2WQ049M
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to human ETB receptor				Eur J Med Chem 121: 658-670 (2016) Article DOI: 10.1016/j.ejmech.2016.06.006 BindingDB Entry DOI: 10.7270/Q2T155MF
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)