Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50120199
Substrate
n/a
Meas. Tech.
ChEBML_209038
Ki
28±n/a nM
Citation
 Blythin, DJ; Chen, X; Piwinski, JJ; Shih, NY; Shue, HJ; Anthes, JC; McPhail, AT Synthesis and NK(1)/NK(2) binding activities of a series of diacyl-substituted 2-arylpiperazines. Bioorg Med Chem Lett 12:3161-5 (2002) [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:
BDBM50120199
Synonyms:
(R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-yl)-3-(1H-indol-3-yl)-propan-1-one | CHEMBL108364
Type:
Small organic molecule
Emp. Form.:
C37H42Cl2N6O3
Mol. Mass.:
689.674
SMILES:
Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
Structure:
Search PDB for entries with ligand similarity: