Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50337297
Substrate
n/a
Meas. Tech.
ChEMBL_726483 (CHEMBL1685250)
EC50
296±n/a nM
Citation
 Pérez, D; Crespo, M; Solé, L; Prat, M; Carcasona, C; Calama, E; Otal, R; Gavaldá, A; Gómez-Angelats, M; Miralpeix, M; Puig, C Discovery of substituted phenyl urea derivatives as novel long-actingß2-adrenoreceptor agonists. Bioorg Med Chem Lett 21:1545-8 (2011) [PubMed]  Article 
Target
Name:
Beta-1 adrenergic receptor
Synonyms:
ADRB1R, B1AR | ADRB1_RAT | Adrb1 | Adrb1r | Adrenergic receptor beta | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 | adrenergic Beta1,2
Type:
Protein
Mol. Mass.:
50486.84
Organism:
Rat
Description:
P18090
Residue:
466
Sequence:
MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
  
Inhibitor
Name:
BDBM50337297
Synonyms:
1-Adamantan-1-ylmethyl-3-(3-{2-[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-quinolin-5-yl)-ethylamino]-ethyl}-phenyl)-urea | CHEMBL1682220
Type:
Small organic molecule
Emp. Form.:
C31H38N4O4
Mol. Mass.:
530.6578
SMILES:
OC(CNCCc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(O)c2[nH]c(=O)ccc12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
Structure:
Search PDB for entries with ligand similarity: