Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50421325
Substrate
n/a
Meas. Tech.
ChEMBL_841416 (CHEMBL2091585)
Ki
183±n/a nM
Citation
 Beattie, D; Beer, D; Bradley, ME; Bruce, I; Charlton, SJ; Cuenoud, BM; Fairhurst, RA; Farr, D; Fozard, JR; Janus, D; Rosethorne, EM; Sandham, DA; Sykes, DA; Trifilieff, A; Turner, KL; Wissler, E An investigation into the structure-activity relationships associated with the systematic modification of theß(2)-adrenoceptor agonist indacaterol. Bioorg Med Chem Lett 22:6280-5 (2012) [PubMed]  Article 
Target
Name:
Beta-1 adrenergic receptor
Synonyms:
ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | adrenergic Beta1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
51338.40
Organism:
Homo sapiens (Human)
Description:
P08588
Residue:
477
Sequence:
MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
  
Inhibitor
Name:
BDBM50421325
Synonyms:
CHEMBL2088197
Type:
Small organic molecule
Emp. Form.:
C24H30N2O3
Mol. Mass.:
394.5066
SMILES:
CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r|
Structure:
Search PDB for entries with ligand similarity: