Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50049356
Substrate
n/a
Meas. Tech.
ChEMBL_205731 (CHEMBL809498)
IC50
1.1±n/a nM
Citation
Hipskind, PA; Howbert, JJ; Bruns, RF; Cho, SS; Crowell, TA; Foreman, MM; Gehlert, DR; Iyengar, S; Johnson, KW; Krushinski, JH; Li, DL; Lobb, KL; Mason, NR; Muehl, BS; Nixon, JA; Phebus, LA; Regoli, D; Simmons, RM; Threlkeld, PG; Waters, DC; Gitter, BD 3-Aryl-1,2-diacetamidopropane derivatives as novel and potent NK-1 receptor antagonists. J Med Chem 39:736-48 (1996) [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:
BDBM50049356
Synonyms:
CHEMBL554713 | N-[1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-phenyl-piperazin-1-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C33H39N5O3
Mol. Mass.:
553.6945
SMILES:
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O