Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50120189
Substrate
n/a
Meas. Tech.
ChEBML_205875
Ki
32±n/a nM
Citation
 Blythin, DJ; Chen, X; Piwinski, JJ; Shih, NY; Shue, HJ; Anthes, JC; McPhail, AT Synthesis and NK(1)/NK(2) binding activities of a series of diacyl-substituted 2-arylpiperazines. Bioorg Med Chem Lett 12:3161-5 (2002) [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:
BDBM50120189
Synonyms:
(R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-yl)-3-(4-hydroxy-phenyl)-propan-1-one | CHEMBL320486
Type:
Small organic molecule
Emp. Form.:
C35H41Cl2N5O4
Mol. Mass.:
666.637
SMILES:
Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: