Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50096776
Substrate
n/a
Meas. Tech.
ChEBML_37246
IC50
3000±n/a nM
Citation
 Brockunier, LL; Candelore, MR; Cascieri, MA; Liu, Y; Tota, L; Wyvratt, MJ; Fisher, MH; Weber, AE; Parmee, ER Human beta3 adrenergic receptor agonists containing cyanoguanidine and nitroethylenediamine moieties. Bioorg Med Chem Lett 11:379-82 (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:
BDBM50096776
Synonyms:
(R)-2-(2-{4-[1-(3-Fluoro-phenylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol | CHEMBL124584
Type:
Small organic molecule
Emp. Form.:
C23H24FN5O3
Mol. Mass.:
437.4668
SMILES:
OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(F)c2)cc1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: