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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50281978 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_205893 (CHEMBL813805) | ||
| IC50 | 75.86±n/a nM | ||
| Citation |  Takeuchi, Y; Shands, EF; Beusen, DD; Marshall, GR Derivation of a three-dimensional pharmacophore model of substance P antagonists bound to the neurokinin-1 receptor. J Med Chem41:3609-23 (1998) [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: |
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| BDBM50281978 | |||
| n/a | |||
| Name | BDBM50281978 | ||
| Synonyms: | (2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2.2]octane | CHEMBL30029 | L-703625 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H29NO | ||
| Mol. Mass. | 383.5253 | ||
| SMILES | C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(3.2,.34,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.26,-2.53,;1.07,-3.3,;.52,-4.28,;-.81,-3.51,;-.81,-1.97,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,;4.53,1.1,;4.53,2.63,;5.86,3.4,;7.19,2.63,;7.19,1.09,;5.86,.32,)| | ||
| Structure | 
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