Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50033613
Substrate
n/a
Meas. Tech.
ChEBML_141662
IC50
125±n/a nM
Citation
 Hagiwara, D; Miyake, H; Murano, K; Morimoto, H; Murai, M; Fujii, T; Nakanishi, I; Matsuo, M Studies on neurokinin antagonists. 3. Design and structure-activity relationships of new branched tripeptides N alpha-(substituted L-aspartyl, L-ornithyl, or L-lysyl)-N-methyl-N-(phenylmethyl)-L-phenylalaninamides as substance P antagonists. J Med Chem 36:2266-78 (1993) [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:
BDBM50033613
Synonyms:
1H-Indole-2-carboxylic acid {4-(2-acetylamino-3-hydroxy-butyrylamino)-1-[1-(benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-butyl}-amide | CHEMBL311688
Type:
Small organic molecule
Emp. Form.:
C37H44N6O6
Mol. Mass.:
668.7819
SMILES:
C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: