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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50114952 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_205711 (CHEMBL807958) | ||
| IC50 | 0.260000±n/a nM | ||
| Citation |  Cooper, LC; Carlson, EJ; Castro, JL; Chicchi, GG; Dinnell, K; Di Salvo, J; Elliott, JM; Hollingworth, GJ; Kurtz, MM; Ridgill, MP; Rycroft, W; Tsao, KL; Swain, CJ 4,4-Disubstituted cyclohexylamine NK(1) receptor antagonists II. Bioorg Med Chem Lett12:1759-62 (2002) [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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| BDBM50114952 | |||
| n/a | |||
| Name | BDBM50114952 | ||
| Synonyms: | 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,1-dimethyl-2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide | CHEMBL3085131 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H42F6N2O2 | ||
| Mol. Mass. | 624.6999 | ||
| SMILES | CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(CC1)C1CCOC1(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.26,wD:5.4,8.11,(4.42,-1.52,;3.21,-2.47,;1.78,-1.89,;.57,-2.84,;1.57,-.36,;.14,.21,;-.18,-1.29,;-1.65,-1.77,;-2.79,-.74,;-2.47,.77,;-1.01,1.24,;-4.26,-1.22,;-4.58,-2.72,;-6.04,-3.2,;-7.19,-2.17,;-6.87,-.66,;-5.4,-.18,;-8.65,-2.64,;-9.13,-4.11,;-10.67,-4.11,;-11.14,-2.64,;-9.9,-1.74,;-10.65,-.4,;-9.14,-.4,;.95,1.52,;.23,2.88,;1.05,4.18,;2.59,4.13,;3.31,2.77,;2.49,1.46,;3.42,-3.99,;2.21,-4.94,;2.42,-6.46,;3.85,-7.04,;5.06,-6.09,;4.85,-4.57,;6.49,-6.67,;7.92,-7.25,;5.92,-8.1,;7.07,-5.24,;1.21,-7.41,;-0,-8.36,;.26,-6.2,;2.16,-8.63,)| | ||
| Structure | 
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