Reaction Details | |||
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Target | Substance-P receptor | ||
Ligand | BDBM50186531 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_377172 (CHEMBL869696) | ||
Ki | 0.4±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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BDBM50186531 | |||
n/a | |||
Name | BDBM50186531 | ||
Synonyms: | CHEMBL379073 | cis-N-{3-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethoxymethyl]-3-phenyl-cyclobutyl}-acetamide | ||
Type | Small organic molecule | ||
Emp. Form. | C23H23F6NO2 | ||
Mol. Mass. | 459.4246 | ||
SMILES | C[C@@H](OC[C@@]1(C[C@@H](C1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,wD:6.8,4.3,(3.11,.86,;3.11,-.68,;4.45,-1.45,;5.78,-.67,;7.12,-1.44,;8.23,-2.5,;7.16,-3.61,;6.05,-2.55,;7.19,-5.15,;5.88,-5.95,;5.91,-7.49,;4.53,-5.21,;8.45,-.66,;9.78,-1.43,;11.11,-.65,;11.1,.89,;9.76,1.65,;8.43,.87,;1.78,-1.46,;.45,-.69,;-.88,-1.46,;-.88,-3.01,;.45,-3.78,;1.79,-3.01,;.45,-5.32,;-1.1,-5.3,;1.98,-5.31,;.46,-6.86,;-2.22,-.69,;-1.45,.65,;-2.99,-2.02,;-3.55,.08,)| | ||
Structure |