BDBM50056065 (2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(4-fluoro-phenyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL321852
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)cc1
InChI Key: InChIKey=RQWLRANAAJAQLD-IEUSDUHPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EDNRA (RAT) | BDBM50056065 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(4-fluoro-ph...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand. | J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50056065 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(4-fluoro-ph...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | 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 | |||||||||||||
Endothelin receptor ET-B (Sus scrofa) | BDBM50056065 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(4-fluoro-ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand. | J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2 | |||||||||||
More data for this Ligand-Target Pair |