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Target
Substance-P receptor
Ligand
BDBM50284130
Substrate
n/a
Meas. Tech.
ChEMBL_205895 (CHEMBL813807)
IC50
9.12±n/a nM
Citation
 Takeuchi, Y; Shands, EF; Beusen, DD; Marshall, GR Derivation of a three-dimensional pharmacophore model of substance P antagonists bound to the neurokinin-1 receptor. J Med Chem 41:3609-23 (1998) [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:
BDBM50284130
Synonyms:
CHEMBL122580 | [(2S,3S)-2-(3-Chloro-phenyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2,4-dimethoxy-benzyl)-amine
Type:
Small organic molecule
Emp. Form.:
C22H27ClN2O2
Mol. Mass.:
386.915
SMILES:
COc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2c2cccc(Cl)c2)c(OC)c1 |wD:15.17,8.7,(17.43,-7.33,;17.43,-8.87,;16.11,-9.64,;16.11,-11.18,;14.78,-11.95,;13.45,-11.18,;12.11,-11.95,;10.78,-11.18,;9.43,-11.95,;8.1,-11.18,;7.31,-12.51,;8.8,-12.91,;8.1,-14.29,;6.77,-13.52,;6.77,-11.95,;9.43,-13.52,;10.78,-14.29,;10.76,-15.83,;12.09,-16.6,;13.42,-15.83,;13.42,-14.28,;14.75,-13.51,;12.09,-13.52,;13.44,-9.64,;12.09,-8.89,;12.09,-7.35,;14.75,-8.87,)|
Structure:
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