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

SMILES COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1

InChI Key InChIKey=OUJTZYPIHDYQMC-LJQANCHMSA-N

Data  14 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50146710   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
Affinity DataIC50:  21.7nMAssay Description:Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
Affinity DataIC50:  1.00E+6nMAssay 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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
Affinity DataIC50:  2.51E+5nMAssay 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 DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
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 DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146710((S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3...)
Affinity DataIC50:  1.19E+3nMAssay Description:Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed