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Target
Substance-P receptor
Ligand
BDBM50281980
Substrate
n/a
Meas. Tech.
ChEMBL_205893 (CHEMBL813805)
IC50
20.89±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:
BDBM50281980
Synonyms:
(2S,3S)-2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane | CHEMBL280849
Type:
Small organic molecule
Emp. Form.:
C28H31NO
Mol. Mass.:
397.5518
SMILES:
Cc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:15.17,8.7,(1.76,5.78,;1.77,4.24,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,)|
Structure:
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