Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50027185
Substrate
n/a
Meas. Tech.
ChEMBL_304080 (CHEMBL852184)
Ki
0.631±n/a nM
Citation
 Atkinson, PJ; Bromidge, SM; Duxon, MS; Gaster, LM; Hadley, MS; Hammond, B; Johnson, CN; Middlemiss, DN; North, SE; Price, GW; Rami, HK; Riley, GJ; Scott, CM; Shaw, TE; Starr, KR; Stemp, G; Thewlis, KM; Thomas, DR; Thompson, M; Vong, AK; Watson, JM 3,4-Dihydro-2H-benzoxazinones are 5-HT(1A) receptor antagonists with potent 5-HT reuptake inhibitory activity. Bioorg Med Chem Lett 15:737-41 (2005) [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:
BDBM50027185
Synonyms:
CHEMBL183921
Type:
Small organic molecule
Emp. Form.:
C22H25N3O5
Mol. Mass.:
411.451
SMILES:
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Structure:
Search PDB for entries with ligand similarity: