BDBM50146608 (Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4-(4-methoxy-phenyl)-4-oxo-but-2-enoic acid::CHEMBL177221
SMILES: COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=CCYNDHNVPJAGKJ-FLFQWRMESA-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 |
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EDNRA (RAT) | BDBM50146608 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | 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)) | BDBM50146608 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Endothelin B receptor | 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 |