Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50186525
Substrate
n/a
Meas. Tech.
ChEMBL_377172 (CHEMBL869696)
Ki
0.3±n/a nM
Citation
 Wrobleski, ML; Reichard, GA; Paliwal, S; Shah, S; Tsui, HC; Duffy, RA; Lachowicz, JE; Morgan, CA; Varty, GB; Shih, NY Cyclobutane derivatives as potent NK1 selective antagonists. Bioorg Med Chem Lett 16:3859-63 (2006) [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:
BDBM50186525
Synonyms:
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-benzyl-3-phenylcyclobutanamine | CHEMBL213906
Type:
Small organic molecule
Emp. Form.:
C28H27F6NO
Mol. Mass.:
507.5105
SMILES:
C[C@@H](OCC1(CC(C1)NCc1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,(17.4,-36.54,;17.4,-38.08,;18.74,-38.84,;20.07,-38.07,;21.41,-38.83,;20.34,-39.94,;21.45,-41.01,;22.52,-39.9,;21.48,-42.55,;20.17,-43.35,;20.2,-44.89,;18.88,-45.68,;18.91,-47.22,;20.26,-47.96,;21.59,-47.15,;21.55,-45.62,;22.74,-38.06,;24.06,-38.82,;25.39,-38.05,;25.39,-36.51,;24.04,-35.74,;22.72,-36.52,;16.07,-38.85,;14.74,-38.09,;13.41,-38.86,;13.4,-40.4,;14.74,-41.17,;16.08,-40.4,;14.74,-42.71,;13.19,-42.7,;16.27,-42.71,;14.75,-44.25,;12.07,-38.09,;12.83,-36.75,;11.29,-39.42,;10.74,-37.32,)|
Structure:
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