Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50052280
Substrate
n/a
Meas. Tech.
ChEMBL_205723 (CHEMBL807969)
IC50
0.22±n/a nM
Citation
 Ladduwahetty, T; Baker, R; Cascieri, MA; Chambers, MS; Haworth, K; Keown, LE; MacIntyre, DE; Metzger, JM; Owen, S; Rycroft, W; Sadowski, S; Seward, EM; Shepheard, SL; Swain, CJ; Tattersall, FD; Watt, AP; Williamson, DW; Hargreaves, RJ N-heteroaryl-2-phenyl-3-(benzyloxy)piperidines: a novel class of potent orally active human NK1 antagonists. J Med Chem 39:2907-14 (1996) [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:
BDBM50052280
Synonyms:
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(4H-[1,2,4]triazol-3-ylmethyl)-piperidine | 3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(1H-[1,2,4]triazol-3-ylmethyl)-piperidine | CHEMBL99792
Type:
Small organic molecule
Emp. Form.:
C23H22F6N4O
Mol. Mass.:
484.4374
SMILES:
FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: