Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50018603
Substrate
n/a
Meas. Tech.
ChEMBL_1362119 (CHEMBL3294891)
Ki
31623±n/a nM
Citation
 Jacobsen, JR; Aggen, JB; Church, TJ; Klein, U; Pfeiffer, JW; Pulido-Rios, TM; Thomas, GR; Yu, C; Moran, EJ Multivalent design of long-actingß(2)-adrenoceptor agonists incorporating biarylamines. Bioorg Med Chem Lett 24:2625-30 (2014) [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:
BDBM50018603
Synonyms:
CHEMBL3290984
Type:
Small organic molecule
Emp. Form.:
C24H28N2O4
Mol. Mass.:
408.4901
SMILES:
COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
Structure:
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