Target
Substance-P receptor
Ligand
BDBM50002656
Substrate
n/a
Meas. Tech.
ChEMBL_205719 (CHEMBL807965)
IC50
487±n/a nM
Citation
 Lowe, JADrozda, SESnider, RMLongo, KPZorn, SHMorrone, JJackson, ERMcLean, SBryce, DKBordner, J The discovery of (2S,3S)-cis-2-(diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1- azabicyclo[2.2.2]-octan-3-amine as a novel, nonpeptide substance P antagonisst. J Med Chem 35:2591-600 (1992) [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:
BDBM50002656
Synonyms:
((2S,3S)-2-Benzyl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | (2-Benzyl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine | CHEMBL86378 | L-703766
Type:
Small organic molecule
Emp. Form.:
C22H28N2O
Mol. Mass.:
336.4705
SMILES:
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1Cc1ccccc1 |wD:10.10,17.20,(24.62,-4.98,;23.29,-4.21,;23.31,-2.67,;24.64,-1.9,;24.65,-.36,;23.29,.41,;21.98,-.36,;21.98,-1.9,;20.63,-2.66,;20.63,-4.21,;19.3,-4.97,;17.97,-4.2,;16.64,-4.97,;16.64,-6.51,;17.97,-7.28,;17.39,-6.28,;18.74,-5.53,;19.3,-6.51,;20.63,-7.29,;20.63,-8.83,;21.96,-9.59,;21.96,-11.13,;20.63,-11.9,;19.28,-11.13,;19.28,-9.59,)|
Structure:
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