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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50029847 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_205712 (CHEMBL807959) | ||
| IC50 | 0.32±n/a nM | ||
| Citation |  Swain, CJ; Seward, EM; Cascieri, MA; Fong, TM; Herbert, R; MacIntyre, DE; Merchant, KJ; Owen, SN; Owens, AP; Sabin, V Identification of a series of 3-(benzyloxy)-1-azabicyclo[2.2.2]octane human NK1 antagonists. J Med Chem38:4793-805 (1996) [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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| BDBM50029847 | |||
| n/a | |||
| Name | BDBM50029847 | ||
| Synonyms: | 2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane | CHEMBL263795 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H30INO | ||
| Mol. Mass. | 523.4484 | ||
| SMILES | Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)| | ||
| Structure | 
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