Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50418331
Substrate
n/a
Meas. Tech.
ChEMBL_743623 (CHEMBL1768166)
IC50
12.59±n/a nM
Citation
 Giuliani, G; Cappelli, A; Matarrese, M; Masiello, V; Turolla, EA; Monterisi, C; Fazio, F; Anzini, M; Pericot Mohr, G; Riitano, D; Finetti, F; Morbidelli, L; Ziche, M; Giorgi, G; Vomero, S Non-peptide NK1 receptor ligands based on the 4-phenylpyridine moiety. Bioorg Med Chem 19:2242-51 (2011) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R_RAT | Neurokinin 1 receptor | Neurokinin NK1 | SPR | Substance-P receptor | Tac1r | Tachykinin receptor 1 | Tacr1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46371.54
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor.
Residue:
407
Sequence:
MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
  
Inhibitor
Name:
BDBM50418331
Synonyms:
SPERGUALIN
Type:
Small organic molecule
Emp. Form.:
C31H24ClF6N3O2
Mol. Mass.:
619.985
SMILES:
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: