Reaction Details | |||
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Target | Substance-K receptor | ||
Ligand | BDBM50045036 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_141787 | ||
IC50 | 188±n/a nM | ||
Citation | Kucharczyk, N; Thurieau, C; Paladino, J; Morris, AD; Bonnet, J; Canet, E; Krause, JE; Regoli, D; Couture, R; Fauchère, JL Tetrapeptide tachykinin antagonists: synthesis and modulation of the physicochemical and pharmacological properties of a new series of partially cyclic analogs. J Med Chem36:1654-61 (1993) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Substance-K receptor | |||
Name: | Substance-K receptor | ||
Synonyms: | NK-2 receptor | NK-2R | NK2R_RAT | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | SKR | Substance-K receptor | Tac2r | Tachykinin receptor 2 | Tacr2 | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 43868.63 | ||
Organism: | Rattus norvegicus (Rat) | ||
Description: | Neurokinin NK2 TACR2 Murine::P16610 | ||
Residue: | 390 | ||
Sequence: |
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BDBM50045036 | |||
n/a | |||
Name | BDBM50045036 | ||
Synonyms: | 7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-ethyl}-indol-1-yl)-7-oxo-heptyl-ammonium | CHEMBL3144209 | ||
Type | Small organic molecule | ||
Emp. Form. | C47H57N7O6 | ||
Mol. Mass. | 815.9988 | ||
SMILES | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| | ||
Structure |