| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50290707 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_205406 |
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| IC50 | 5.9±n/a nM |
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| Citation |  Vaz, RJ; Maynard, GD; Kudlacz, EM; Bratton, LD; Kane, JM; Shatzer, SA; Knippenberg, RW Use of CoMFA in validating the conformation used in designing 4-(1H-benzimidazole-2-carbonyl)piperidines with H1/NK1 receptor antagonist activity Bioorg Med Chem Lett7:2825-2830 (1997) 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: | NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 46261.42 |
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| Organism: | GUINEA PIG |
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| Description: | Neurokinin NK1 TACR1 GUINEA PIG::P30547 |
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| Residue: | 407 |
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| Sequence: | MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVC
MIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTIST
VVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
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| BDBM50290707 |
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| n/a |
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| Name | BDBM50290707 |
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| Synonyms: | CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-phenyl)-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(3,4,5-triethoxy-phenyl)-methanone; compound with (E)-but-2-enedioic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C47H55FN4O7 |
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| Mol. Mass. | 806.9606 |
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| SMILES | CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 |
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| Structure | 
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