Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50099550
Substrate/Competitorn/a
Meas. Tech.ChEBML_141778
IC50 0.280000±n/a nM
Citation Dinnell, KChicchi, GGDhar, MJElliott, JMHollingworth, GJKurtz, MMRidgill, MPRycroft, WTsao, KLWilliams, ARSwain, CJ 2-Aryl indole NK1 receptor antagonists: optimisation of the 2-aryl ring and the indole nitrogen substituent. Bioorg Med Chem Lett11:1237-40 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Substance-P receptor
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:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50099550
n/a
NameBDBM50099550
Synonyms:3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one | CHEMBL416372
TypeSmall organic molecule
Emp. Form.C29H29Cl2N3O2
Mol. Mass.522.465
SMILESCOc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: