Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50170968
Substrate
n/a
Meas. Tech.
ChEMBL_305764 (CHEMBL827101)
IC50
>10000±n/a nM
Citation
 Middleton, DS; MacKenzie, AR; Newman, SD; Corless, M; Warren, A; Marchington, AP; Jones, B Structure-activity relationships of 1-alkyl-5-(3,4-dichlorophenyl)-5-{2-[3-(substituted)-1-azetidinyl]-ethyl}-2-piperidones. Part 2: Improving oral absorption. Bioorg Med Chem Lett 15:3957-61 (2005) [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:
BDBM50170968
Synonyms:
(S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cyclohexylmethyl)-5-{2-[3-(4-fluoro-piperidin-1-yl)-azetidin-1-yl]-ethyl}-piperidin-2-one | CHEMBL182600
Type:
Small organic molecule
Emp. Form.:
C28H38Cl2F3N3O
Mol. Mass.:
560.522
SMILES:
FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Structure:
Search PDB for entries with ligand similarity: