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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50002659 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_205719 (CHEMBL807965) | ||
| IC50 | 20±n/a nM | ||
| Citation |  Lowe, JA; Drozda, SE; Snider, RM; Longo, KP; Zorn, SH; Morrone, J; Jackson, ER; McLean, S; Bryce, DK; Bordner, J The discovery of (2S,3S)-cis-2-(diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1- azabicyclo[2.2.2]-octan-3-amine as a novel, nonpeptide substance P antagonisst. J Med Chem35:2591-600 (1992) [PubMed] | ||
| 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: |
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| BDBM50002659 | |||
| n/a | |||
| Name | BDBM50002659 | ||
| Synonyms: | ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine | (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine | CHEMBL86806 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H32N2O | ||
| Mol. Mass. | 412.5665 | ||
| SMILES | COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.32,-3.62,;5.65,-4.39,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;4.32,-17.46,;4.32,-15.92,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;4.32,-6.7,)| | ||
| Structure | 
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