Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50045040
Substrate
n/a
Meas. Tech.
ChEMBL_141787 (CHEMBL745325)
IC50
142±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_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:
MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
  
Inhibitor
Name:
BDBM50045040
Synonyms:
CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-3-(1-formyl-1H-indol-3-yl)-propionylamino]-N-methyl-3-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C41H44N6O6
Mol. Mass.:
716.8247
SMILES:
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)|
Structure:
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