Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Substance-P receptor | ||
Ligand | BDBM50000040 | ||
Substrate/Competitor | n/a | ||
Ki | 0.55±n/a nM | ||
Comments | PDSP_583 | ||
Citation | Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP In vitro and in vivo characterization of MDL 105,212A, a nonpeptide NK-1/NK-2 tachykinin receptor antagonist. J Pharmacol Exp Ther277:840-51 (1996) [PubMed] | ||
More Info.: | Get all data from this article | ||
Substance-P receptor | |||
Name: | Substance-P receptor | ||
Synonyms: | NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1 | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 46261.42 | ||
Organism: | GUINEA PIG | ||
Description: | Neurokinin NK1 TACR1 GUINEA PIG::P30547 | ||
Residue: | 407 | ||
Sequence: |
| ||
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 |