Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50020127
Substrate
n/a
Meas. Tech.
ChEMBL_1364155 (CHEMBL3292632)
Ki
4.0±n/a nM
Citation
 Hanessian, S; Jennequin, T; Boyer, N; Babonneau, V; Soma, U; Mannoury la Cour, C; Millan, MJ; De Nanteuil, G Design, Synthesis, and Optimization of Balanced Dual NK1/NK3 Receptor Antagonists. ACS Med Chem Lett 5:550-5 (2014) [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:
BDBM50020127
Synonyms:
CHEMBL3288170
Type:
Small organic molecule
Emp. Form.:
C39H45Cl2F4N5O6
Mol. Mass.:
826.704
SMILES:
OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r|
Structure:
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