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Target
Beta-2 adrenergic receptor
Ligand
BDBM50318996
Substrate
n/a
Meas. Tech.
ChEMBL_635468 (CHEMBL1120618)
Ki
300±n/a nM
Citation
 Tasler, S; Baumgartner, R; Aschenbrenner, A; Ammendola, A; Wolf, K; Wieber, T; Schachtner, J; Blisse, M; Quotschalla, U; Ney, P A vHTS approach for the identification of beta-adrenoceptor ligands. Bioorg Med Chem Lett 20:3399-404 (2010) [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:
BDBM50318996
Synonyms:
2-((1-(3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | CHEMBL1084526
Type:
Small organic molecule
Emp. Form.:
C32H38N2O5
Mol. Mass.:
530.6545
SMILES:
COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c(c1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: