| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50341316 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_742677 (CHEMBL1769555) |
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| Ki | 1.000000±n/a nM |
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| Citation |  Yamamoto, T; Nair, P; Largent-Milnes, TM; Jacobsen, NE; Davis, P; Ma, SW; Yamamura, HI; Vanderah, TW; Porreca, F; Lai, J; Hruby, VJ Discovery of a potent and efficacious peptide derivative ford/µ opioid agonist/neurokinin 1 antagonist activity with a 2',6'-dimethyl-L-tyrosine: in vitro, in vivo, and NMR-based structural studies. J Med Chem54:2029-38 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Substance-P receptor |
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| Name: | Substance-P receptor |
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| 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 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 46254.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25103 |
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| Residue: | 407 |
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| Sequence: | MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
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| BDBM50341316 |
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| n/a |
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| Name | BDBM50341316 |
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| Synonyms: | (S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(trifluoromethyl)benzylamino)propan-2-ylamino)-4-methyl-1-oxopentan-2-yl)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-15-(4-hydroxy-2,6-dimethylphenyl)-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)pyrrolidine-2-carboxamide | CHEMBL1766206 |
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| Type | Small organic molecule |
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| Emp. Form. | C61H77F3N10O9 |
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| Mol. Mass. | 1151.3209 |
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| SMILES | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| |
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| Structure | 
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