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Target
Substance-P receptor
Ligand
BDBM50281976
Substrate
n/a
Meas. Tech.
ChEMBL_205893 (CHEMBL813805)
IC50
1.000±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:
BDBM50281976
Synonyms:
(2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane | 2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane | CHEMBL283356 | L-706125
Type:
Small organic molecule
Emp. Form.:
C29H33NO
Mol. Mass.:
411.5784
SMILES:
Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)|
Structure:
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