| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50499067 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1539081 (CHEMBL3738442) |
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| Ki | 34±n/a nM |
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| Citation |  Giri, AK; Apostol, CR; Wang, Y; Forte, BL; Largent-Milnes, TM; Davis, P; Rankin, D; Molnar, G; Olson, KM; Porreca, F; Vanderah, TW; Hruby, VJ Discovery of Novel Multifunctional Ligands with ?/? Opioid Agonist/Neurokinin-1 (NK1) Antagonist Activities for the Treatment of Pain. J Med Chem58:8573-83 (2015) [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_RAT | Neurokinin 1 receptor | Neurokinin NK1 | SPR | Substance-P receptor | Tac1r | Tachykinin receptor 1 | Tacr1 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 46371.54 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor. |
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| Residue: | 407 |
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| Sequence: | MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAH
KRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTIST
VVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
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| BDBM50499067 |
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| n/a |
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| Name | BDBM50499067 |
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| Synonyms: | CHEMBL4299479 |
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| Type | Small organic molecule |
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| Emp. Form. | C54H60F7N9O8 |
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| Mol. Mass. | 1096.0985 |
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| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| |
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| Structure | 
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