Reaction Details | |||
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Target | Substance-P receptor | ||
Ligand | BDBM50186520 | ||
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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BDBM50186520 | |||
n/a | |||
Name | BDBM50186520 | ||
Synonyms: | CHEMBL379520 | trans-1-{3-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethoxymethyl]-3-phenyl-cyclobutyl}-pyrrolidin-2-one | ||
Type | Small organic molecule | ||
Emp. Form. | C25H25F6NO2 | ||
Mol. Mass. | 485.4619 | ||
SMILES | C[C@@H](OC[C@]1(C[C@@H](C1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.8,wD:4.3,(-2.23,-39.04,;-2.22,-40.58,;-.89,-41.35,;.45,-40.57,;1.78,-41.34,;.72,-42.45,;1.83,-43.51,;2.89,-42.4,;1.86,-45.05,;.64,-45.99,;1.14,-47.44,;2.68,-47.41,;3.13,-45.93,;4.58,-45.43,;3.11,-40.56,;4.44,-41.33,;5.77,-40.55,;5.77,-39.01,;4.42,-38.25,;3.1,-39.03,;-3.55,-41.36,;-4.89,-40.59,;-6.22,-41.36,;-6.22,-42.91,;-4.88,-43.68,;-3.55,-42.91,;-4.89,-45.22,;-6.43,-45.2,;-3.35,-45.21,;-4.87,-46.76,;-7.55,-40.59,;-6.79,-39.25,;-8.33,-41.92,;-8.88,-39.82,)| | ||
Structure |