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Target
Substance-P receptor
Ligand
BDBM50117508
Substrate
n/a
Meas. Tech.
ChEMBL_205874 (CHEMBL810141)
Ki
400±n/a nM
Citation
 Seward, EM; Carlson, E; Harrison, T; Haworth, KR; Herbert, R; Kelleher, FJ; Kurtz, MM; Moseley, J; Owen, SN; Owens, AP; Sadowski, SJ; Swain, CJ; Williams, BJ Spirocyclic NK(1) antagonists I: [4.5] and [5.5]-spiroketals. Bioorg Med Chem Lett 12:2515-8 (2002) [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:
BDBM50117508
Synonyms:
(5S,6R,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethyl-phenyl)-1,7-dioxa-4-aza-spiro[5.5]undecane | (5S,6S,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethyl-phenyl)-1,7-dioxa-4-aza-spiro[5.5]undecane | CHEMBL311027
Type:
Small organic molecule
Emp. Form.:
C21H21F4NO2
Mol. Mass.:
395.3906
SMILES:
Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@@H](CO1)c1ccccc1C(F)(F)F
Structure:
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