BDBM50041616 (1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-5-propoxy-indan-2-carboxylic acid::CHEMBL39142
SMILES: CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=MGSHGXWTVFBUSC-ZNZIZOMTSA-N
Data: 2 KI
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-1 receptor (Homo sapiens (Human)) | BDBM50041616 ((1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-ph...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [125I]-ET-1 binding to cloned human ET-A receptor | J Med Chem 37: 1553-7 (1994) BindingDB Entry DOI: 10.7270/Q2154G2V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50041616 ((1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-ph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [125I]-ET-1 binding to cloned human ET-B receptor | J Med Chem 37: 1553-7 (1994) BindingDB Entry DOI: 10.7270/Q2154G2V | |||||||||||
More data for this Ligand-Target Pair |