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Target
Substance-P receptor
Ligand
BDBM50030181
Substrate
n/a
Meas. Tech.
ChEMBL_205806 (CHEMBL882133)
IC50
3.5±n/a nM
Citation
 Hagiwara, D; Miyake, H; Igari, N; Karino, M; Maeda, Y; Fujii, T; Matsuo, M Studies on neurokinin antagonists. 4. Synthesis and structure-activity relationships of novel dipeptide substance P antagonists: N2-[(4R)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl]-N- methyl-N-(phenylmethyl)-3-(2-naphthyl)-L-alaninamide and its related compounds. J Med Chem 37:2090-9 (1994) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46261.42
Organism:
GUINEA PIG
Description:
Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:
407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
  
Inhibitor
Name:
BDBM50030181
Synonyms:
(R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-(3-trifluoromethyl-phenyl)-ethyl]-amide | CHEMBL305547
Type:
Small organic molecule
Emp. Form.:
C33H33F3N4O4
Mol. Mass.:
606.6347
SMILES:
CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Structure:
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