Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50052523
Substrate
n/a
Meas. Tech.
ChEMBL_205397 (CHEMBL817414)
EC50
3±n/a nM
Citation
 Byk, G; Halle, D; Zeltser, I; Bitan, G; Selinger, Z; Gilon, C Synthesis and biological activity of NK-1 selective, N-backbone cyclic analogs of the C-terminal hexapeptide of substance P. J Med Chem 39:3174-8 (1996) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46261.42
Organism:
GUINEA PIG
Description:
Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:
407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
  
Inhibitor
Name:
BDBM50052523
Synonyms:
(R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-3-phenyl-propionylamino]-3-phenyl-propionyl}-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-amide | CHEMBL422779
Type:
Small organic molecule
Emp. Form.:
C42H62N10O7S
Mol. Mass.:
851.069
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: