| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Substance-P receptor |
|---|
| Ligand | BDBM50290709 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEBML_205406 |
|---|
| IC50 | 6.8±n/a nM |
|---|
| Citation |  Vaz, RJ; Maynard, GD; Kudlacz, EM; Bratton, LD; Kane, JM; Shatzer, SA; Knippenberg, RW Use of CoMFA in validating the conformation used in designing 4-(1H-benzimidazole-2-carbonyl)piperidines with H1/NK1 receptor antagonist activity Bioorg Med Chem Lett7:2825-2830 (1997) Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Substance-P receptor |
|---|
| Name: | Substance-P receptor |
|---|
| Synonyms: | NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1 |
|---|
| Type: | Enzyme Catalytic Domain |
|---|
| Mol. Mass.: | 46261.42 |
|---|
| Organism: | GUINEA PIG |
|---|
| Description: | Neurokinin NK1 TACR1 GUINEA PIG::P30547 |
|---|
| Residue: | 407 |
|---|
| Sequence: | MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVC
MIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTIST
VVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
|
|
|
|---|
| BDBM50290709 |
|---|
| n/a |
|---|
| Name | BDBM50290709 |
|---|
| Synonyms: | CHEMBL317524 | CHEMBL320002 | [3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone; compound with methanesulfonic acid |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C43H45FN4O7 |
|---|
| Mol. Mass. | 748.8384 |
|---|
| SMILES | COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc2OCOc2c1 |
|---|
| Structure | 
|
|---|
Search and Browse
