BDBM50336698 CHEMBL1672885::N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-ylmethyl]-2,3-dimethoxyphenoxy}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethyl]-4-fluorobenzenesulfonamide
SMILES: COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CNS(=O)(=O)c3ccc(F)cc3)nn2)c1)c1ccc2OCOc2c1
InChI Key: InChIKey=SYMLFHWTJLQEBY-UHFFFAOYSA-N
Data: 2 KI
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 (Mus musculus) | BDBM50336698 (CHEMBL1672885 | N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]d...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Mu£nster Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting | J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin B receptor (Mus musculus) | BDBM50336698 (CHEMBL1672885 | N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 893 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Mu£nster Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from ETB receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting | J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4 | |||||||||||
More data for this Ligand-Target Pair |