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Target
Substance-P receptor
Ligand
BDBM50002654
Substrate
n/a
Meas. Tech.
ChEMBL_205719 (CHEMBL807965)
IC50
16±n/a nM
Citation
 Lowe, JA; Drozda, SE; Snider, RM; Longo, KP; Zorn, SH; Morrone, J; Jackson, ER; McLean, S; Bryce, DK; Bordner, 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:
BDBM50002654
Synonyms:
(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-ethoxy-benzyl)-amine | CHEMBL89652
Type:
Small organic molecule
Emp. Form.:
C29H34N2O
Mol. Mass.:
426.5931
SMILES:
CCOc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:11.11,18.21,(1.66,-3.62,;2.99,-4.39,;2.99,-5.93,;4.32,-6.7,;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,-11.3,;-1,-12.84,;.33,-13.61,;-.25,-12.62,;1.08,-11.86,;1.66,-12.84,;2.99,-13.61,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;2.99,-15.15,;4.32,-15.92,;4.32,-17.46,;2.99,-18.23,;1.64,-17.46,;1.64,-15.92,)|
Structure:
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