| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50327382 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_664412 (CHEMBL1259678) |
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| IC50 | 1.9±n/a nM |
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| Citation |  Morriello, GJ; Chicchi, G; Johnson, T; Mills, SG; Demartino, J; Kurtz, M; Tsao, KL; Zheng, S; Tong, X; Carlson, E; Townson, K; Wheeldon, A; Boyce, S; Collinson, N; Rupniak, N; Devita, RJ Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor. Bioorg Med Chem Lett20:5925-32 (2010) [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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| BDBM50327382 |
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| n/a |
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| Name | BDBM50327382 |
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| Synonyms: | (7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-8-(4-fluorophenyl)-2-(3-oxocyclopent-1-enyl)octahydropyrrolo[3,4-a]pyrrolizin-4(8bH)-one | CHEMBL1256586 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H27F7N2O3 |
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| Mol. Mass. | 596.5358 |
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| SMILES | C[C@@H](O[C@H]1CN2[C@@H](C3CN(CC3C2=O)C2=CC(=O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:16| |
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| Structure | 
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