Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50093036
Substrate
n/a
Meas. Tech.
ChEMBL_37249 (CHEMBL651570)
EC50
3±n/a nM
Citation
 Parmee, ER; Brockunier, LL; He, J; Singh, SB; Candelore, MR; Cascieri, MA; Deng, L; Liu, Y; Tota, L; Wyvratt, MJ; Fisher, MH; Weber, AE Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human beta3 adrenergic receptor agonists. Bioorg Med Chem Lett 10:2283-6 (2001) [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:
BDBM50093036
Synonyms:
CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C33H38N4O6S
Mol. Mass.:
618.743
SMILES:
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1
Structure:
Search PDB for entries with ligand similarity: