Reaction Details  Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50421559
Substrate
n/a
Meas. Tech.
ChEBML_205889
IC50
100±n/a nM
Citation
 Ryckmans, T; Berton, O; Grimée, R; Kogej, T; Lamberty, Y; Pasau, P; Talaga, P; Genicot, C Dual NK(1) antagonists--serotonin reuptake inhibitors as potential antidepressants. Part 2: SAR and activity of benzyloxyphenethyl piperazine derivatives. Bioorg Med Chem Lett 12:3195-8 (2002) [PubMed]
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:
BDBM50421559
Synonyms:
CHEMBL109514
Type:
Small organic molecule
Emp. Form.:
C21H21F7N2O
Mol. Mass.:
450.3931
SMILES:
Fc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Structure:
Search PDB for entries with ligand similarity: