| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Substance-P receptor |
|---|
| Ligand | BDBM50079412 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1475776 (CHEMBL3425009) |
|---|
| Ki | 501±n/a nM |
|---|
| Citation |  Hoveyda, HR; Fraser, GL; Roy, MO; Dutheuil, G; Batt, F; El Bousmaqui, M; Korac, J; Lenoir, F; Lapin, A; Noël, S; Blanc, S Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I). J Med Chem58:3060-82 (2015) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Substance-P receptor |
|---|
| Name: | Substance-P receptor |
|---|
| 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 |
|---|
| Type: | G Protein-Coupled Receptor (GPCR) |
|---|
| Mol. Mass.: | 46254.43 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P25103 |
|---|
| Residue: | 407 |
|---|
| Sequence: | MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
|
|
|
|---|
| BDBM50079412 |
|---|
| n/a |
|---|
| Name | BDBM50079412 |
|---|
| Synonyms: | (NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B) | CHEMBL437797 | NKB | Neurokinin B |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C55H79N13O14S2 |
|---|
| Mol. Mass. | 1210.424 |
|---|
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |
|---|
| Structure | 
|
|---|
Search and Browse
