BDBM50107570 CHEMBL169872::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-[(2-hydroxy-ethyl)-methyl-amino]-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide
SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N(C)CCO
InChI Key: InChIKey=MBWVDUHYYPVIJE-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin receptor ET-A (Sus scrofa) | BDBM50107570 (CHEMBL169872 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >10 | 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 |