Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50091768
Substrate
n/a
Meas. Tech.
ChEBML_37379
IC50
6000±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-1 adrenergic receptor
Synonyms:
ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
51338.40
Organism:
Homo sapiens (Human)
Description:
P08588
Residue:
477
Sequence:
MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
Inhibitor
Name:
BDBM50091768
Synonyms:
CHEMBL292598 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-quinolin-6-yl-thiazol-2-yl)-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C33H29N5O3S2
Mol. Mass.:
607.745
SMILES:
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc3ncccc3c2)cc1)c1cccnc1