Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50179768 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_336032 (CHEMBL867164) | ||
| IC50 | 0.33±n/a nM | ||
| Citation |  Hollingworth, GJ; Carlson, EJ; Castro, JL; Chicchi, GG; Clark, N; Cooper, LC; Dirat, O; Salvo, JD; Elliott, JM; Kilburn, R; Kurtz, MM; Rycroft, W; Tattersall, FD; Tsao, KL; Swain, CJ Novel lactam NK1 antagonists with anti-emetic activity. Bioorg Med Chem Lett16:1197-201 (2006) [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: |
| ||
| BDBM50179768 | |||
| n/a | |||
| Name | BDBM50179768 | ||
| Synonyms: | 3-(3,5-bis-trifluoromethyl-phenyl)-3-methyl-1-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-pyrrolidin-2-one | CHEMBL379224 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H38F6N2O2 | ||
| Mol. Mass. | 608.6574 | ||
| SMILES | CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(21.57,7.05,;20.81,5.71,;20.17,7.11,;18.64,6.94,;18.33,5.43,;19.67,4.67,;19.84,3.14,;17.01,4.65,;18.34,3.87,;18.34,2.33,;17.01,1.57,;15.68,2.33,;15.68,3.87,;17.01,.03,;15.67,-.74,;15.67,-2.27,;16.99,-3.05,;15.66,-3.81,;15.97,-5.32,;17.5,-5.49,;18.13,-4.08,;18.34,-2.28,;18.34,-.74,;15.66,5.42,;15.66,6.97,;14.32,7.75,;12.98,6.96,;12.99,5.41,;14.33,4.64,;22.32,5.4,;23.63,6.19,;24.97,5.43,;24.99,3.89,;23.66,3.11,;22.32,3.87,;23.67,1.57,;23.66,.03,;25.21,1.57,;22.13,1.56,;26.3,6.22,;27.62,7,;25.51,7.56,;27.09,4.9,)| | ||
| Structure | 
| ||