Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50021883
Substrate
n/a
Meas. Tech.
ChEMBL_1369176
EC50
7.9±n/a nM
Citation
 McKinnell, RM; Klein, U; Linsell, MS; Moran, EJ; Nodwell, MB; Pfeiffer, JW; Thomas, GR; Yu, C; Jacobsen, JR Discovery of TD-4306, a long-actingß2-agonist for the treatment of asthma and COPD. Bioorg Med Chem Lett 24:2871-6 (2014) [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:
BDBM50021883
Synonyms:
CHEMBL3298832
Type:
Small organic molecule
Emp. Form.:
C32H39N5O6S
Mol. Mass.:
621.747
SMILES:
CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 |r|
Structure:
Search PDB for entries with ligand similarity: