BDBM50050983 (2S,3S,4R)-1-Allylcarbamoylmethyl-4-benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL9342
SMILES: COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)NCC=C)c1ccc2OCOc2c1)C(O)=O
InChI Key: InChIKey=PCNDSKZUQDVAGU-OFAXGOBFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EDNRA (RAT) | BDBM50050983 ((2S,3S,4R)-1-Allylcarbamoylmethyl-4-benzo[1,3]diox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 34.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against the Endothelin A receptor of rat MMQ cells | J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor ET-B (Sus scrofa) | BDBM50050983 ((2S,3S,4R)-1-Allylcarbamoylmethyl-4-benzo[1,3]diox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 889 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum | J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT | |||||||||||
More data for this Ligand-Target Pair |