Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50030196
Substrate
n/a
Meas. Tech.
ChEBML_1698008
Ki
43652±n/a nM
Citation
 Del Bello, F; Bonifazi, A; Giorgioni, G; Cifani, C; Micioni Di Bonaventura, MV; Petrelli, R; Piergentili, A; Fontana, S; Mammoli, V; Yano, H; Matucci, R; Vistoli, G; Quaglia, W 1-[3-(4-Butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1) as a Model for the Rational Design of a Novel Class of Brain Penetrant Ligands with High Affinity and Selectivity for Dopamine D J Med Chem 61:3712-3725 (2018) [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:
BDBM50030196
Synonyms:
CHEMBL3354065
Type:
Small organic molecule
Emp. Form.:
C21H32N2O
Mol. Mass.:
328.4916
SMILES:
CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Structure:
Search PDB for entries with ligand similarity: