BDBM50146710 (S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid::AMBRISENTAN::CHEMBL1111::Letairis

SMILES Cc1cc(nc(n1)O[C@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C

InChI Key InChIKey=OUJTZYPIHDYQMC-UHFFFAOYSA-N

Data  14 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 16 hits for monomerid = 50146710   

TargetEndothelin-1 receptor(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 1nMAssay Description:Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelin-1 receptor(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 1nMAssay Description:Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelin-1 receptor(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 21.7nMAssay Description:Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndothelin receptor type B(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 195nMAssay Description:Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetEndothelin receptor type B(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 195nMAssay Description:Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetEndothelin receptor type B(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 1.19E+3nMAssay Description:Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataEC50:  3.16E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataEC50:  3.16E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 6.31E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily D member 3(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 1.26E+6nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 2.51E+6nMAssay Description:Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710(CHEMBL1111 | Letairis | (S)-2-(4,6-Dimethyl-pyrimi...)
Affinity DataIC50: 7.94E+6nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed