Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50096780
Substrate
n/a
Meas. Tech.
ChEBML_38307
IC50
1300±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-2 adrenergic receptor
Synonyms:
ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor
Type:
n/a
Mol. Mass.:
46461.69
Organism:
Homo sapiens (Human)
Description:
P07550
Residue:
413
Sequence:
MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
  
Inhibitor
Name:
BDBM50096780
Synonyms:
1-(4-Octyl-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-amide | 1-(4-Octyl-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonic acid{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-amide | CHEMBL301231
Type:
Small organic molecule
Emp. Form.:
C34H43N5O3S2
Mol. Mass.:
633.867
SMILES:
CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Structure:
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