BDBM50050984 (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid::CHEMBL266594
SMILES: CCCN(C)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=NDHGXDPUEOMCNE-WDJPJFJCSA-N
Data: 4 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-B (Sus scrofa) | BDBM50050984 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90E+3 | 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 | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50050984 ((2S,3S,4R)-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 | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Radioligand binding selectivity of the compound to human Endothelin B receptor in chinese hamster ovary 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 | |||||||||||||
EDNRA (RAT) | BDBM50050984 ((2S,3S,4R)-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 | 6.63 | 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-1 receptor (Homo sapiens (Human)) | BDBM50050984 ((2S,3S,4R)-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 | 21.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Radioligand binding selectivity of the compound to human Endothelin A receptor in chinese hamster ovary 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 |