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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Substance-P receptor | ||
| Ligand | BDBM50186519 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_377172 (CHEMBL869696) | ||
| Ki | 1±n/a nM | ||
| Citation |  Wrobleski, ML; Reichard, GA; Paliwal, S; Shah, S; Tsui, HC; Duffy, RA; Lachowicz, JE; Morgan, CA; Varty, GB; Shih, NY Cyclobutane derivatives as potent NK1 selective antagonists. Bioorg Med Chem Lett16:3859-63 (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: |
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| BDBM50186519 | |||
| n/a | |||
| Name | BDBM50186519 | ||
| Synonyms: | CHEMBL214388 | trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-N-methyl-3-phenylcyclobutanecarboxamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H24F6N2O2 | ||
| Mol. Mass. | 474.4393 | ||
| SMILES | CNC(=O)[C@]1(N)C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |wU:10.10,4.4,wD:7.7,4.3,(1.54,-7.56,;2.89,-6.83,;4.2,-7.65,;4.16,-9.18,;5.57,-6.91,;6.89,-7.68,;4.46,-5.84,;5.53,-4.73,;4.19,-3.97,;2.86,-4.74,;1.53,-3.98,;1.52,-2.44,;.2,-4.75,;.2,-6.3,;-1.14,-7.08,;-2.47,-6.3,;-2.47,-4.76,;-1.14,-3.99,;-3.8,-3.99,;-3.04,-2.65,;-4.58,-5.32,;-5.14,-3.22,;-1.14,-8.62,;.4,-8.61,;-2.68,-8.61,;-1.12,-10.16,;6.64,-5.8,;6.86,-3.96,;8.19,-4.73,;9.52,-3.95,;9.52,-2.41,;8.17,-1.65,;6.85,-2.42,)| | ||
| Structure | 
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