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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50029878 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_142730 | ||
| IC50 | 0.700000±n/a nM | ||
| Citation |  Swain, CJ; Seward, EM; Sabin, V; Owen, S; Baker, R; Cascieri, MA; Sadowski, S; Strader, C; Ball, RG Quinuclidine based NK-1 antagonists 2: determination of the absolute stereochemical requirements Bioorg Med Chem Lett3:1703-1706 (1993) 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: |
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| BDBM50029878 | |||
| n/a | |||
| Name | BDBM50029878 | ||
| Synonyms: | (2R,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane | CHEMBL49638 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H27F6NO | ||
| Mol. Mass. | 519.5212 | ||
| SMILES | FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |wU:16.18,wD:9.8,(5.48,-3.03,;5.21,-1.43,;6.73,-.86,;6.44,-2.13,;3.88,-.68,;2.54,-1.45,;1.21,-.68,;-.13,-1.45,;-.13,-2.99,;-1.46,-3.76,;-2.8,-2.99,;-4.13,-3.74,;-4.15,-5.28,;-2.82,-6.05,;-2.54,-4.74,;-3.33,-3.97,;-1.46,-5.3,;-.13,-6.07,;1.2,-5.3,;1.2,-3.78,;2.53,-3.01,;3.86,-3.79,;3.86,-5.33,;2.53,-6.09,;-.14,-7.61,;-1.49,-8.36,;-1.49,-9.9,;-.16,-10.69,;1.17,-9.92,;1.17,-8.38,;1.21,.86,;2.54,1.65,;3.88,.88,;2.53,3.17,;3.76,4.2,;1.28,4.19,;2.53,4.59,)| | ||
| Structure | 
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