BDBM50000559 2-(2-Azepan-1-yl-2-oxo-ethyl)-4-methyl-pentanoic acid [2-(1H-indol-3-yl)-1-(1-methylcarbamoyl-2-pyridin-2-yl-ethylcarbamoyl)-ethyl]-methyl-amide::CHEMBL288514
SMILES: CNC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](CC(C)C)CC(=O)N1CCCCCC1
InChI Key: InChIKey=UTARCIHZBFMSJG-SDDUWZMOSA-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) | BDBM50000559 (2-(2-Azepan-1-yl-2-oxo-ethyl)-4-methyl-pentanoic a...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity towards Endothelin A receptor in porcine aortic membranes | J Med Chem 35: 1493-508 (1992) BindingDB Entry DOI: 10.7270/Q27M08KX | |||||||||||
More data for this Ligand-Target Pair |