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Target
Substance-P receptor
Ligand
BDBM50191087
Substrate
n/a
Meas. Tech.
ChEMBL_395310 (CHEMBL870413)
IC50
0.16±n/a nM
Citation
 Meurer, LC; Finke, PE; Owens, KA; Tsou, NN; Ball, RG; Mills, SG; Maccoss, M; Sadowski, S; Cascieri, MA; Tsao, KL; Chicchi, GG; Egger, LA; Luell, S; Metzger, JM; Macintyre, DE; Rupniak, NM; Williams, AR; Hargreaves, RJ Cyclopentane-based human NK1 antagonists. Part 2: development of potent, orally active, water-soluble derivatives. Bioorg Med Chem Lett 16:4504-11 (2006) [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:
BDBM50191087
Synonyms:
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-((4H-1,2,4-triazol-3-yl)methyl)-N-ethyl-2-(4-fluorophenyl)cyclopentanamine | CHEMBL380210
Type:
Small organic molecule
Emp. Form.:
C26H27F7N4O
Mol. Mass.:
544.5076
SMILES:
CCN(Cc1nnc[nH]1)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1
Structure:
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