Ki Summary

Reaction Details

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Target

5-hydroxytryptamine receptor 1B

Ligand

BDBM50343890

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_747466 (CHEMBL1776966)

121±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

5-hydroxytryptamine receptor 1B

Name:

5-hydroxytryptamine receptor 1B

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

43579.17

Organism:

Homo sapiens (Human)

Description:

Receptor binding assays were performed using human clone stably expressed in CHO cells

Residue:

390

Sequence:

MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALIT
LATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQV
VCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISI
SLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRIL
KQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLE
KKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYL
NSLINPIIYTMSNEDFKQAFHKLIRFKCTS

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