Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50091786
Substrate
n/a
Meas. Tech.
ChEBML_38312
IC50
1700±n/a nM
Citation
Mathvink, RJ; Tolman, JS; Chitty, D; Candelore, MR; Cascieri, MA; Colwell, LF; Deng, L; Feeney, WP; Forrest, MJ; Hom, GJ; MacIntyre, DE; Tota, L; Wyvratt, MJ; Fisher, MH; Weber, AE Potent, selective 3-pyridylethanolamine beta3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore. Bioorg Med Chem Lett 10:1971-3 (2001) [PubMed] Article
More Info.:
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:
BDBM50091786
Synonyms:
4-[4-(3,4-Difluoro-phenyl)-thiazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide | 4-[4-(3,4-Difluoro-phenyl)-thiazol-2-yl]-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide | CHEMBL293994
Type:
Small organic molecule
Emp. Form.:
C30H26F2N4O3S2
Mol. Mass.:
592.679
SMILES:
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)c(F)c2)cc1)c1cccnc1