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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50456631 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1757657 (CHEMBL4192665) | ||
| IC50 | 3.4±n/a nM | ||
| Citation |  Recio, R; Vengut-Climent, E; Mouillac, B; Orcel, H; López-Lázaro, M; Calderón-Montaño, JM; Álvarez, E; Khiar, N; Fernández, I Design, synthesis and biological studies of a library of NK1-Receptor Ligands Based on a 5-arylthiosubstituted 2-amino-4,6-diaryl-3-cyano-4H-pyran core: Switch from antagonist to agonist effect by chemical modification. Eur J Med Chem138:644-660 (2017) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Substance-P receptor | |||
| Name: | Substance-P receptor | ||
| Synonyms: | NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 46254.43 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P25103 | ||
| Residue: | 407 | ||
| Sequence: |
| ||
| BDBM50456631 | |||
| n/a | |||
| Name | BDBM50456631 | ||
| Synonyms: | CHEMBL4206396 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H32N2O | ||
| Mol. Mass. | 412.5665 | ||
| SMILES | COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |r,wU:17.20,wD:10.10,(49.3,-11.06,;50.06,-12.4,;51.6,-12.41,;52.36,-13.75,;53.9,-13.76,;54.68,-12.41,;53.91,-11.08,;52.38,-11.08,;51.62,-9.75,;52.39,-8.42,;51.63,-7.08,;50.11,-7.08,;49.34,-5.74,;50.11,-4.42,;51.64,-4.43,;50.54,-5.41,;51.48,-6.35,;52.4,-5.76,;53.94,-5.76,;54.72,-4.44,;56.26,-4.45,;57.03,-3.12,;56.27,-1.78,;54.72,-1.78,;53.95,-3.11,;54.71,-7.1,;53.93,-8.43,;54.69,-9.77,;56.24,-9.78,;57.01,-8.44,;56.24,-7.1,)| | ||
| Structure | 
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