Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50096768
Substrate
n/a
Meas. Tech.
ChEBML_37246
IC50
8400±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 | 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:
BDBM50096768
Synonyms:
CHEMBL120238 | Cyanoguanidine derivative
Type:
Small organic molecule
Emp. Form.:
C35H31F3N8O2S
Mol. Mass.:
684.733
SMILES:
O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42|
Structure:
Search PDB for entries with ligand similarity: