Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50346327
Substrate
n/a
Meas. Tech.
ChEMBL_749318 (CHEMBL1785099)
Kd
630.96±n/a nM
Citation
 Ballet, S; Feytens, D; Buysse, K; Chung, NN; Lemieux, C; Tumati, S; Keresztes, A; Van Duppen, J; Lai, J; Varga, E; Porreca, F; Schiller, PW; Vanden Broeck, J; Tourwé, D Design of novel neurokinin 1 receptor antagonists based on conformationally constrained aromatic amino acids and discovery of a potent chimeric opioid agonist-neurokinin 1 receptor antagonist. J Med Chem 54:2467-76 (2011) [PubMed]  Article 
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:
BDBM50346327
Synonyms:
(S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-N-(3,5-bis(trifluoromethyl)benzyl)acetamide | CHEMBL1782138
Type:
Small organic molecule
Emp. Form.:
C23H21F6N3O3
Mol. Mass.:
501.4216
SMILES:
CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: