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Target
Substance-P receptor
Ligand
BDBM50002659
Substrate
n/a
Meas. Tech.
ChEMBL_205895 (CHEMBL813807)
IC50
19.95±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:
BDBM50002659
Synonyms:
((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine | (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine | CHEMBL86806
Type:
Small organic molecule
Emp. Form.:
C28H32N2O
Mol. Mass.:
412.5665
SMILES:
COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.32,-3.62,;5.65,-4.39,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;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,;4.32,-6.7,)|
Structure:
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