Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50357184
Substrate
n/a
Meas. Tech.
ChEMBL_787726 (CHEMBL1918309)
IC50
0.054±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:
BDBM50357184
Synonyms:
CHEMBL1917851
Type:
Small organic molecule
Emp. Form.:
C23H25F3N6O3
Mol. Mass.:
490.4782
SMILES:
COC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r|
Structure:
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