Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50243426
Substrate
n/a
Meas. Tech.
ChEMBL_491574 (CHEMBL944220)
Ki
0.5±n/a nM
Citation
 Paliwal, S; Reichard, GA; Shah, S; Wrobleski, ML; Wang, C; Stengone, C; Tsui, HC; Xiao, D; Duffy, RA; Lachowicz, JE; Nomeir, AA; Varty, GB; Shih, NY Discovery of a novel, potent and orally active series of gamma-lactams as selective NK1 antagonists. Bioorg Med Chem Lett 18:4168-71 (2008) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46254.43
Organism:
Homo sapiens (Human)
Description:
P25103
Residue:
407
Sequence:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
  
Inhibitor
Name:
BDBM50243426
Synonyms:
1-((3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-oxo-5-phenylpyrrolidin-3-yl)pyrrolidin-2-one | CHEMBL453055
Type:
Small organic molecule
Emp. Form.:
C25H24F6N2O3
Mol. Mass.:
514.4601
SMILES:
C[C@@H](OC[C@]1(C[C@@H](N2CCCC2=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: