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Target
Substance-K receptor
Ligand
BDBM50045036
Substrate
n/a
Meas. Tech.
ChEBML_141643
IC50
45±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 Chem 36:1654-61 (1993) [PubMed]  Article 
Target
Name:
Substance-K receptor
Synonyms:
NK-2 receptor | NK-2R | NK2R | NK2R_HUMAN | NKNAR | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | Neurokinin-2 (NK-2) | Neuromedin-2 receptor (NK-2R) | SKR | TAC2R | TACR2 | Tachykinin receptor 2 | Tachykinin receptor 2 (NK2) | hnk-3
Type:
Protein
Mol. Mass.:
44455.78
Organism:
Homo sapiens (Human)
Description:
P21452
Residue:
398
Sequence:
MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
  
Inhibitor
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:
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