| Reaction Details |
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 | Report a problem with these data |
| Target | Substance-P receptor |
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| Ligand | BDBM50175494 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_205872 |
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| Ki | 0.300000±n/a nM |
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| Citation |  Bernstein, PR; Aharony, D; Albert, JS; Andisik, D; Barthlow, HG; Bialecki, R; Davenport, T; Dedinas, RF; Dembofsky, BT; Koether, G; Kosmider, BJ; Kirkland, K; Ohnmacht, CJ; Potts, W; Rumsey, WL; Shen, L; Shenvi, A; Sherwood, S; Stollman, D; Russell, K Discovery of novel, orally active dual NK1/NK2 antagonists. Bioorg Med Chem Lett11:2769-73 (2001) [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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| BDBM50175494 |
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| n/a |
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| Name | BDBM50175494 |
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| Synonyms: | 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide | 3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid | CHEMBL330366 | MDL 104,335 (S)-enantiomer | MDL-105212 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H39Cl2N3O5 |
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| Mol. Mass. | 640.597 |
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| SMILES | COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |
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| Structure | 
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