Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50178276
Substrate
n/a
Meas. Tech.
ChEMBL_332689 (CHEMBL858931)
IC50
0.61±n/a nM
Citation
 Thomson, CG; Carlson, E; Chicchi, GG; Kulagowski, JJ; Kurtz, MM; Swain, CJ; Tsao, KL; Wheeldon, A Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists. Bioorg Med Chem Lett 16:811-4 (2006) [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:
BDBM50178276
Synonyms:
5-(2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-phenyl-8-aza-bicyclo[3.2.1]octan-6-yl)-2H-1,2,4-triazol-3(4H)-one | CHEMBL379010
Type:
Small organic molecule
Emp. Form.:
C26H28F3N5O3
Mol. Mass.:
515.5274
SMILES:
FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2n[nH]c(=O)[nH]2)c2ccccc2)c1
Structure:
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