Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50093093
Substrate
n/a
Meas. Tech.
ChEMBL_209040 (CHEMBL815486)
Ki
358±n/a nM
Citation
 Reichard, GA; Ball, ZT; Aslanian, R; Anthes, JC; Shih, NY; Piwinski, JJ The design and synthesis of novel NK1/NK2 dual antagonists. Bioorg Med Chem Lett 10:2329-32 (2001) [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:
BDBM50093093
Synonyms:
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-pentan-2-one oxime | CHEMBL293432 | CHEMBL76334
Type:
Small organic molecule
Emp. Form.:
C31H30Cl2F6N2O3
Mol. Mass.:
663.478
SMILES:
OC1(CCN(CCC(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: