| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50409026 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_222920 (CHEMBL842694) |
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| IC50 | 9600±n/a nM |
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| Citation |  Liu, J; Underwood, DJ; Cascieri, MA; Rohrer, SP; Cantin, LD; Chicchi, G; Smith, AB; Hirschmann, R Synthesis of a substance P antagonist with a somatostatin scaffold: factors affecting agonism/antagonism at GPCRs and the role of pseudosymmetry. J Med Chem43:3827-31 (2000) [PubMed] |
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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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| BDBM50409026 |
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| n/a |
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| Name | BDBM50409026 |
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| Synonyms: | CHEMBL2112245 |
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| Type | Small organic molecule |
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| Emp. Form. | C74H92FN15O17S2 |
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| Mol. Mass. | 1546.741 |
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| SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)[C@@H](C)O |
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| Structure | 
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