Reaction Details | |||
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Target | Substance-P receptor | ||
Ligand | BDBM50000040 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_208661 (CHEMBL813321) | ||
IC50 | 32±n/a nM | ||
Citation | Hipskind, PA; Howbert, JJ; Bruns, RF; Cho, SS; Crowell, TA; Foreman, MM; Gehlert, DR; Iyengar, S; Johnson, KW; Krushinski, JH; Li, DL; Lobb, KL; Mason, NR; Muehl, BS; Nixon, JA; Phebus, LA; Regoli, D; Simmons, RM; Threlkeld, PG; Waters, DC; Gitter, BD 3-Aryl-1,2-diacetamidopropane derivatives as novel and potent NK-1 receptor antagonists. J Med Chem39:736-48 (1996) [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_RAT | Neurokinin 1 receptor | Neurokinin NK1 | SPR | Substance-P receptor | Tac1r | Tachykinin receptor 1 | Tacr1 | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 46371.54 | ||
Organism: | Rattus norvegicus (rat) | ||
Description: | Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor. | ||
Residue: | 407 | ||
Sequence: |
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BDBM50000040 | |||
n/a | |||
Name | BDBM50000040 | ||
Synonyms: | ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | ((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | (+)(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | (-) (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | CHEMBL16192 | CP-96,345 | CP-96345 | i(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | ||
Type | Small organic molecule | ||
Emp. Form. | C28H32N2O | ||
Mol. Mass. | 412.5665 | ||
SMILES | COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| | ||
Structure |