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Target
Substance-P receptor
Ligand
BDBM50220121
Substrate
n/a
Meas. Tech.
ChEMBL_449085 (CHEMBL899345)
IC50
0.05±n/a nM
Citation
 Young, JR; Eid, R; Turner, C; DeVita, RJ; Kurtz, MM; Tsao, KL; Chicchi, GG; Wheeldon, A; Carlson, E; Mills, SG Pyrrolidine-carboxamides and oxadiazoles as potent hNK1 antagonists. Bioorg Med Chem Lett 17:5310-5 (2007) [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:
BDBM50220121
Synonyms:
(3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propan-2-yl)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-fluoro-2-methylphenyl)-N-methylpyrrolidine-3-carboxamide | CHEMBL391615
Type:
Small organic molecule
Emp. Form.:
C32H36F7N3O3
Mol. Mass.:
643.6354
SMILES:
CN(C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure:
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