Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Substance-P receptor | ||
Ligand | BDBM50186522 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_377172 (CHEMBL869696) | ||
Ki | 0.1±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: |
| ||
BDBM50186522 | |||
n/a | |||
Name | BDBM50186522 | ||
Synonyms: | CHEMBL379072 | trans-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:1.0,6.8,wD:4.3,(.79,-3.02,;.8,-4.56,;2.13,-5.33,;3.46,-4.55,;4.8,-5.32,;3.73,-6.43,;4.84,-7.49,;5.91,-6.38,;4.88,-9.03,;3.56,-9.83,;3.59,-11.37,;2.21,-9.09,;6.13,-4.54,;7.46,-5.31,;8.79,-4.54,;8.78,-2.99,;7.44,-2.23,;6.11,-3.01,;-.54,-5.34,;-1.87,-4.57,;-3.2,-5.34,;-3.2,-6.89,;-1.87,-7.66,;-.53,-6.89,;-1.87,-9.2,;-3.41,-9.19,;-.33,-9.19,;-1.85,-10.74,;-4.53,-4.57,;-3.77,-3.24,;-5.31,-5.9,;-5.87,-3.8,)| | ||
Structure |