Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50235075
Substrate
n/a
Meas. Tech.
ChEMBL_1654658 (CHEMBL4004024)
IC50
>20000±n/a nM
Citation
 Harper, BH; Wang, L; Zhu, C; Kar, NF; Li, B; Moyes, CR; Goble, SD; Costa, M; Dingley, K; Di Salvo, J; Ha, SN; Hurley, A; Li, X; Miller, RR; Nagabukuro, H; Salituro, GM; Smith, S; Struthers, M; Hale, JJ; Edmondson, SD; Berger, R Investigation of piperazine benzamides as humanß Bioorg Med Chem Lett 27:1094-1098 (2017) [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:
BDBM50235075
Synonyms:
CHEMBL4095361
Type:
Small organic molecule
Emp. Form.:
C32H36N6O3
Mol. Mass.:
552.6666
SMILES:
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nnc(C)o3)CC2)N1)[C@H](O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: