BDBM50299900 5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL579394
SMILES: Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
InChI Key: InChIKey=NWQXBEWHTDRJIP-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50299900 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL | Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation | Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50299900 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL | Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation | Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |