Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50281978
Substrate
n/a
Meas. Tech.
ChEBML_142736
IC50
110000±n/a nM
Citation
 Seward, EM; Swain, CJ; Merchant, KJ; Owen, SN; Sabin, V; Cascieri, MA; Sadowski, S; Strader, C; Baker, R Quinuclidine-based NK-1 antagonists I: 3-benzyloxy-1-azabicyclo[2.2.2]octanes Bioorg Med Chem Lett 3:1361-1366 (1993)    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:
BDBM50281978
Synonyms:
(2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2.2]octane | CHEMBL30029 | L-703625
Type:
Small organic molecule
Emp. Form.:
C27H29NO
Mol. Mass.:
383.5253
SMILES:
C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(3.2,.34,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.26,-2.53,;1.07,-3.3,;.52,-4.28,;-.81,-3.51,;-.81,-1.97,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,;4.53,1.1,;4.53,2.63,;5.86,3.4,;7.19,2.63,;7.19,1.09,;5.86,.32,)|
Structure:
Search PDB for entries with ligand similarity: