Reaction Details | |||
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Target | Substance-K receptor | ||
Ligand | BDBM50045032 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_141787 (CHEMBL745325) | ||
IC50 | 489±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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BDBM50045032 | |||
n/a | |||
Name | BDBM50045032 | ||
Synonyms: | CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-3-(1-methyl-1H-indol-3-yl)-propionylamino]-N-methyl-3-phenyl-propionamide | ||
Type | Small organic molecule | ||
Emp. Form. | C41H46N6O5 | ||
Mol. Mass. | 702.8411 | ||
SMILES | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| | ||
Structure |