Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50106356
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1506667
IC50 0.590000±n/a nM
Citation Degnan APTora GOHan YRajamani RBertekap RKrause RDavis CDHu JMorgan DTaylor SJKrause KLi YWMattson GCunningham MATaber MTLodge NJBronson JJGillman KWMacor JE Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors. Bioorg Med Chem Lett 25:3039-43 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Substance-P receptor
Name:Neurokinin 1 receptor
Synonyms:NK-1 receptor | NK-1R | NK1 Receptor | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | 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:
BDBM50106356
n/a
NameBDBM50106356
Synonyms:CHEMBL3596483
TypeSmall organic molecule
Emp. Form.C27H25F3N2O
Mol. Mass.450.4954
SMILESFC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(cc1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: