Reaction Details | |||
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Target | Substance-P receptor | ||
Ligand | BDBM50179778 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_336032 (CHEMBL867164) | ||
IC50 | 0.48±n/a nM | ||
Citation | Hollingworth, GJ; Carlson, EJ; Castro, JL; Chicchi, GG; Clark, N; Cooper, LC; Dirat, O; Salvo, JD; Elliott, JM; Kilburn, R; Kurtz, MM; Rycroft, W; Tattersall, FD; Tsao, KL; Swain, CJ Novel lactam NK1 antagonists with anti-emetic activity. Bioorg Med Chem Lett16:1197-201 (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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BDBM50179778 | |||
n/a | |||
Name | BDBM50179778 | ||
Synonyms: | 4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-3-methyl-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one | CHEMBL383048 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H35F6N3O2 | ||
Mol. Mass. | 643.6617 | ||
SMILES | CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(-1.74,-10.05,;-2.5,-11.39,;-3.14,-9.98,;-4.67,-10.16,;-4.98,-11.67,;-3.64,-12.43,;-3.47,-13.96,;-6.3,-12.44,;-4.97,-13.22,;-4.97,-14.76,;-6.3,-15.52,;-7.63,-14.76,;-7.63,-13.22,;-6.3,-17.06,;-7.64,-17.84,;-7.64,-19.39,;-6.3,-20.15,;-4.97,-19.37,;-3.63,-20.14,;-4.97,-17.84,;-6.29,-21.69,;-7.63,-22.46,;-7.62,-24,;-6.28,-24.77,;-4.95,-23.98,;-4.96,-22.45,;-7.65,-11.67,;-7.65,-10.12,;-8.99,-9.35,;-10.33,-10.13,;-10.32,-11.69,;-8.98,-12.45,;-.99,-11.7,;.32,-10.91,;1.66,-11.66,;1.68,-13.21,;.35,-13.99,;-.99,-13.23,;.36,-15.53,;.35,-17.06,;1.9,-15.53,;-1.18,-15.54,;2.99,-10.88,;4.31,-10.09,;2.2,-9.55,;3.78,-12.2,)| | ||
Structure |