Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50318971
Substrate
n/a
Meas. Tech.
ChEMBL_635468 (CHEMBL1120618)
Ki
135±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:
BDBM50318971
Synonyms:
2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-5-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione | CHEMBL1085014
Type:
Small organic molecule
Emp. Form.:
C30H32N2O5
Mol. Mass.:
500.5855
SMILES:
OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Structure:
Search PDB for entries with ligand similarity: