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Target
Beta-2 adrenergic receptor
Ligand
BDBM50019696
Substrate
n/a
Meas. Tech.
ChEMBL_1361198 (CHEMBL3292430)
IC50
1400±n/a nM
Citation
 Storer, RI; Brennan, PE; Brown, AD; Bungay, PJ; Conlon, KM; Corbett, MS; DePianta, RP; Fish, PV; Heifetz, A; Ho, DK; Jessiman, AS; McMurray, G; de Oliveira, CA; Roberts, LR; Root, JA; Shanmugasundaram, V; Shapiro, MJ; Skerten, M; Westbrook, D; Wheeler, S; Whitlock, GA; Wright, J Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT2C) receptor agonists with exquisite functional selectivity over 5-HT2A and 5-HT2B receptors. J Med Chem 57:5258-69 (2014) [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:
BDBM50019696
Synonyms:
CHEMBL3286557
Type:
Small organic molecule
Emp. Form.:
C16H18F2N4
Mol. Mass.:
304.3377
SMILES:
CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
Structure:
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