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Target
Substance-P receptor
Ligand
BDBM50002651
Substrate
n/a
Meas. Tech.
ChEMBL_205893 (CHEMBL813805)
IC50
7.94±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:
BDBM50002651
Synonyms:
((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-methyl-amine | (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-methyl-amine | CHEMBL86659 | L-705084
Type:
Small organic molecule
Emp. Form.:
C29H34N2O
Mol. Mass.:
426.5931
SMILES:
COc1ccccc1CN(C)[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:11.11,18.21,(6.98,-11.32,;5.65,-10.53,;5.65,-9.01,;6.98,-8.24,;7,-6.7,;5.65,-5.93,;4.32,-6.7,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;4.25,-11.18,;1.66,-11.3,;.33,-10.53,;-1,-11.3,;-1,-12.84,;.33,-13.61,;-.25,-12.62,;1.08,-11.86,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;4.32,-17.46,;4.32,-15.92,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,)|
Structure:
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