Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50220911
Substrate
n/a
Meas. Tech.
ChEMBL_449388 (CHEMBL899646)
Ki
7.9±n/a nM
Citation
 Krushinski, JH; Schaus, JM; Thompson, DC; Calligaro, DO; Nelson, DL; Luecke, SH; Wainscott, DB; Wong, DT Indoloxypropanolamine analogues as 5-HT(1A) receptor antagonists. Bioorg Med Chem Lett 17:5600-4 (2007) [PubMed]  Article 
Target
Name:
Beta-1 adrenergic receptor
Synonyms:
ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
51338.40
Organism:
Homo sapiens (Human)
Description:
P08588
Residue:
477
Sequence:
MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
  
Inhibitor
Name:
BDBM50220911
Synonyms:
(S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-propan-2-ol | CHEMBL236514
Type:
Small organic molecule
Emp. Form.:
C21H28N2O2
Mol. Mass.:
340.4592
SMILES:
O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Structure:
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