Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Substance-P receptor
Ligand
BDBM50284270
Substrate
n/a
Meas. Tech.
ChEMBL_205720 (CHEMBL807966)
IC50
1.3±n/a nM
Citation
Lowe, JA; Drozda, SE; McLean, S; Crawford, RT; Bryce, DK; Bordner, J N-alkyl quinuclidinium substance P antagonists Bioorg Med Chem Lett 4:1153-1156 (1994) Article More Info.:
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:
BDBM50284270
Synonyms:
(2S,3S)-2-Benzhydryl-1-carbamoylmethyl-3-(2-methoxy-benzylamino)-1-azonia-bicyclo[2.2.2]octane; iodide | CHEMBL417263
Type:
Small organic molecule
Emp. Form.:
C30H36N3O2
Mol. Mass.:
470.6252
SMILES:
COc1ccccc1CN[C@H]1C2CC[N+](CC(N)=O)(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,21.24,(17.13,-21.73,;15.66,-22.14,;14.57,-21.05,;15.9,-20.28,;15.92,-18.74,;14.57,-17.97,;13.24,-18.74,;13.24,-20.28,;11.91,-21.03,;11.91,-22.57,;10.55,-23.34,;9.27,-22.57,;7.92,-23.34,;7.92,-24.88,;9.22,-25.65,;8.85,-27.14,;7.36,-27.54,;6.96,-29.03,;6.26,-26.44,;9.99,-24.3,;8.5,-23.9,;10.55,-24.88,;11.91,-25.65,;11.88,-27.19,;10.55,-27.96,;10.55,-29.5,;11.88,-30.27,;13.24,-29.5,;13.21,-27.96,;13.24,-24.88,;14.57,-25.65,;15.9,-24.9,;15.9,-23.36,;14.57,-22.57,;13.24,-23.36,)|
Structure:
