Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50357163
Substrate
n/a
Meas. Tech.
ChEMBL_787726 (CHEMBL1918309)
IC50
0.057±n/a nM
Citation
 Shirai, J; Yoshikawa, T; Yamashita, M; Yamamoto, Y; Kawamoto, M; Tarui, N; Kamo, I; Hashimoto, T; Ikeura, Y Design, structure-activity relationship, and highly efficient asymmetric synthesis of 3-phenyl-4-benzylaminopiperidine derivatives as novel neurokinin-1 receptor antagonists. Bioorg Med Chem 19:6430-46 (2011) [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:
BDBM50357163
Synonyms:
CHEMBL1917860
Type:
Small organic molecule
Emp. Form.:
C24H25F6N7O2
Mol. Mass.:
557.4914
SMILES:
COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NCC(F)(F)F)-n1nnnc1C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: