BDBM50105033 CHEMBL112531::N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide
SMILES: Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
InChI Key: InChIKey=XCDYCRJUBJSYLD-UHFFFAOYSA-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-1 receptor (Homo sapiens (Human)) | BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.00420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL | Assay Description Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells | J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL | Assay Description Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells | J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL | Assay Description Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor | J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor ET-A (Sus scrofa) | BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | <0.00100 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL | Assay Description Ability to inhibit specific binding of [125I]- -ET-1 to rat A 10 cells which express endothelin A receptor | J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8 | |||||||||||
More data for this Ligand-Target Pair |