Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50097911
Substrate
n/a
Meas. Tech.
ChEMBL_209014 (CHEMBL815378)
IC50
2.5±n/a nM
Citation
 Ali, MA; Bhogal, N; Fishwick, CW; Findlay, JB Spatial requirements of the antagonist binding site of the NK2 receptor. Bioorg Med Chem Lett 11:819-22 (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:
BDBM50097911
Synonyms:
3-[2-(4-Benzenesulfinylmethyl-4-methoxy-piperidin-1-yl)-ethyl]-5-fluoro-1H-indole | 5-Fluoro-3-[3-(4-methoxy-4-(methylsulfinyl)benzenepiperidin-1-yl)-ethyl]-1H-indole | CHEMBL166161 | GR-159897
Type:
Small organic molecule
Emp. Form.:
C23H27FN2O2S
Mol. Mass.:
414.536
SMILES:
COC1(CS(=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Structure:
Search PDB for entries with ligand similarity: