BDBM50080622 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(2-methyl-1-phenyl-propylcarbamoyl)-methyl]-pyrrolidine-3-carboxylic acid; TFA::CHEMBL121647::CHEMBL366441
SMILES: COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
InChI Key: InChIKey=DASGRKPWAFYAFD-YOJJAIPISA-N
Data: 3 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-1 receptor (Homo sapiens (Human)) | BDBM50080622 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor | J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50080622 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells. | J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50080622 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor | J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT | |||||||||||
More data for this Ligand-Target Pair |