| Reaction Details |
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 | Report a problem with these data |
| Target | Neurokinin 1 receptor |
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| Ligand | BDBM50108629 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1506611 |
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| IC50 | 3.6±n/a nM |
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| Citation |  Degnan AP; Tora GO; Han Y; Rajamani R; Bertekap R; Krause R; Davis CD; Hu J; Morgan D; Taylor SJ; Krause K; Li YW; Mattson G; Cunningham MA; Taber MT; Lodge NJ; Bronson JJ; Gillman KW; Macor JE Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors. Bioorg Med Chem Lett 25:3039-43 (2015) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Neurokinin 1 receptor |
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| Name: | Neurokinin 1 receptor |
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| Synonyms: | NK-1 receptor | NK-1R | NK1 Receptor | Neurokinin NK1 | SPR | Substance-P receptor | TACR1 | Tachykinin receptor 1 |
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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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| BDBM50108629 |
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| n/a |
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| Name | BDBM50108629 |
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| Synonyms: | CHEMBL3596481 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H26F3NO2 |
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| Mol. Mass. | 441.4853 |
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| SMILES | Oc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F |
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| Structure | 
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