Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50500480
Substrate
n/a
Meas. Tech.
ChEMBL_1543557 (CHEMBL3750558)
IC50
>20000±n/a nM
Citation
 Zhu, C; Kar, NF; Li, B; Costa, M; Dingley, KH; Di Salvo, J; Ha, SN; Hurley, AL; Li, X; Miller, RR; Salituro, GM; Struthers, M; Weber, AE; Hale, JJ; Edmondson, SD Discovery of benzamides as potent human ?3 adrenergic receptor agonists. Bioorg Med Chem Lett 26:55-9 (2016) [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:
BDBM50500480
Synonyms:
CHEMBL3747546
Type:
Small organic molecule
Emp. Form.:
C27H32N2O4
Mol. Mass.:
448.554
SMILES:
[H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)OCC)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: