BDBM50108202 (S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid::CHEMBL23261::Darusentan
SMILES: COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
InChI Key: InChIKey=FEJVSJIALLTFRP-LJQANCHMSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 371 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 371 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting | Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor | Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity towards human cloned endothelin B receptor by [125I]-ET-1 displacement. | Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6 | |||||||||||
More data for this Ligand-Target Pair |