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Target
Substance-P receptor
Ligand
BDBM50070382
Substrate
n/a
Meas. Tech.
ChEMBL_1467478 (CHEMBL3411101)
Ki
35±n/a nM
Citation
 Guillemyn, K; Kleczkowska, P; Lesniak, A; Dyniewicz, J; Van der Poorten, O; Van den Eynde, I; Keresztes, A; Varga, E; Lai, J; Porreca, F; Chung, NN; Lemieux, C; Mika, J; Rojewska, E; Makuch, W; Van Duppen, J; Przewlocka, B; Vanden Broeck, J; Lipkowski, AW; Schiller, PW; Tourwé, D; Ballet, S Synthesis and biological evaluation of compact, conformationally constrained bifunctional opioid agonist - neurokinin-1 antagonist peptidomimetics. Eur J Med Chem 92:64-77 (2015) [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:
BDBM50070382
Synonyms:
CHEMBL3408731
Type:
Small organic molecule
Emp. Form.:
C42H52F6N8O5
Mol. Mass.:
862.9033
SMILES:
[H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Structure:
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