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Target
Substance-P receptor
Ligand
BDBM50049468
Substrate
n/a
Meas. Tech.
ChEMBL_990533 (CHEMBL2447076)
IC50
1.000000±n/a nM
Citation
 Di Fabio, R; Alvaro, G; Braggio, S; Carletti, R; Gerrard, PA; Griffante, C; Marchioro, C; Pozzan, A; Melotto, S; Poffe, A; Piccoli, L; Ratti, E; Tranquillini, E; Trower, M; Spada, S; Corsi, M Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. Bioorg Med Chem 21:6264-73 (2013) [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:
BDBM50049468
Synonyms:
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine | (2S,3S)-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpiperidine | 3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine | CHEMBL27006 | L-733060
Type:
Small organic molecule
Emp. Form.:
C20H19F6NO
Mol. Mass.:
403.3614
SMILES:
FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r|
Structure:
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