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Target
Substance-P receptor
Ligand
BDBM50049309
Substrate
n/a
Meas. Tech.
ChEMBL_205905 (CHEMBL814665)
IC50
1.3±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 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_MOUSE | Neurokinin 1 receptor | Tac1r | Tacr1
Type:
PROTEIN
Mol. Mass.:
46327.42
Organism:
Mus musculus
Description:
ChEMBL_205905
Residue:
407
Sequence:
MDNVLPVDSDLFPNTSTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEDEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
  
Inhibitor
Name:
BDBM50049309
Synonyms:
CHEMBL348976 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C33H45N5O3
Mol. Mass.:
559.7421
SMILES:
COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O
Structure:
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