Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50403954
Substrate
n/a
Meas. Tech.
ChEBML_205717
IC50
0.080000±n/a nM
Citation
 Williams, BJ; Cascieri, MA; Chicchi, GG; Harrison, T; Owens, AP; Owen, SN; Rupniak, NM; Tattersall, DF; Williams, A; Swain, CJ Spirocyclic NK(1) antagonists II: [4.5]-spiroethers. Bioorg Med Chem Lett 12:2719-22 (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:
BDBM50403954
Synonyms:
CHEMBL2112366
Type:
Small organic molecule
Emp. Form.:
C23H22F3N5O2
Mol. Mass.:
457.4483
SMILES:
COc1ccc(cc1C1=CC2(CCCN[C@H]2c2ccccc2)OC1)-n1nnnc1C(F)(F)F |r,t:9|
Structure:
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