Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50280467
Substrate
n/a
Meas. Tech.
ChEMBL_208662 (CHEMBL813322)
IC50
>10000±n/a nM
Citation
 Howson, W; Hodgson, J; Richardson, R; Walton, L; Guard, S; Watling, K An SAR study for the non-peptide substance P receptor (NK1) antagonist, CP-96,345. Bioorg Med Chem Lett 2:559-564 (1992)    Article 
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R_RAT | Neurokinin 1 receptor | Neurokinin NK1 | SPR | Substance-P receptor | Tac1r | Tachykinin receptor 1 | Tacr1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46371.54
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor.
Residue:
407
Sequence:
MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
  
Inhibitor
Name:
BDBM50280467
Synonyms:
CHEMBL346626 | [3-(2-Chloro-phenyl)-propyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
Type:
Small organic molecule
Emp. Form.:
C29H33ClN2
Mol. Mass.:
445.039
SMILES:
Clc1ccccc1CCCN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:18.21,11.11,(2.69,-1.85,;2.71,-.31,;4.04,.46,;4.02,2.01,;2.68,2.77,;1.36,1.98,;1.36,.46,;.05,-.33,;.05,-1.85,;-1.28,-2.64,;-1.26,-4.18,;-2.59,-4.95,;-3.94,-4.18,;-4.71,-5.51,;-3.22,-5.9,;-4.01,-7.23,;-5.27,-6.49,;-5.27,-4.95,;-2.59,-6.49,;-1.28,-7.29,;.21,-6.89,;1.29,-7.98,;2.78,-7.57,;3.17,-6.07,;2.08,-4.99,;.59,-5.4,;-1.3,-8.83,;.01,-9.61,;,-11.15,;-1.35,-11.91,;-2.68,-11.11,;-2.65,-9.57,)|
Structure:
Search PDB for entries with ligand similarity: