Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50185062
Substrate
n/a
Meas. Tech.
ChEMBL_357921 (CHEMBL871229)
IC50
0.23±n/a nM
Citation
Elliott, JM; Carlson, EJ; Chicchi, GG; Dirat, O; Dominguez, M; Gerhard, U; Jelley, R; Jones, AB; Kurtz, MM; Tsao, K; Wheeldon, A NK1 antagonists based on seven membered lactam scaffolds. Bioorg Med Chem Lett 16:2929-32 (2006) [PubMed] Article
More Info.:
Target
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:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
Inhibitor
Name:
BDBM50185062
Synonyms:
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one | CHEMBL209456
Type:
Small organic molecule
Emp. Form.:
C23H22F7NO2
Mol. Mass.:
477.4151
SMILES:
C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F