Reaction Details  Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50000224
Substrate
n/a
Meas. Tech.
ChEMBL_205901 (CHEMBL814485)
Ki
7.9±n/a nM
Citation
 Genicot, C; Christophe, B; Collart, P; Gillard, M; Goossens, L; Hénichart, JP; Lassoie, MA; Moureau, F; Neuwels, M; Nicolas, JM; Pasau, P; Quéré, L; Ryckmans, T; Stiernet, F; Taverne, T; Van Keulen, BJ Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett 13:437-42 (2003) [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:
BDBM50000224
Synonyms:
CHEMBL342602
Type:
Small organic molecule
Emp. Form.:
C19H20F6N2OS
Mol. Mass.:
438.43
SMILES:
FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccs2)cc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: