Reaction Details | |||
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Target | Alpha-1B adrenergic receptor | ||
Ligand | BDBM50343890 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_747462 (CHEMBL1776962) | ||
Ki | 185±n/a nM | ||
Citation | Al Hussainy, R; Verbeek, J; van der Born, D; Braker, AH; Leysen, JE; Knol, RJ; Booij, J; Herscheid, JK Design, synthesis, radiolabeling, and in vitro and in vivo evaluation of bridgehead iodinated analogues of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) as potential SPECT ligands for the 5-HT1A receptor. J Med Chem54:3480-91 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Alpha-1B adrenergic receptor | |||
Name: | Alpha-1B adrenergic receptor | ||
Synonyms: | ADA1B_HUMAN | ADRA1B | Adrenergic alpha1B | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor | ||
Type: | Enzyme | ||
Mol. Mass.: | 56862.13 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P35368 | ||
Residue: | 520 | ||
Sequence: |
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BDBM50343890 | |||
n/a | |||
Name | BDBM50343890 | ||
Synonyms: | 4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cubyl-1-carboxamide | CHEMBL1774991 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H29IN4O2 | ||
Mol. Mass. | 568.4492 | ||
SMILES | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)| | ||
Structure |