Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50186518
Substrate
n/a
Meas. Tech.
ChEMBL_377172 (CHEMBL869696)
Ki
0.43±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:
BDBM50186518
Synonyms:
CHEMBL210641 | cis-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C22H22F6N2O2
Mol. Mass.:
460.4127
SMILES:
C[C@@H](OC[C@@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.9,wD:6.6,4.3,(6.13,1.85,;6.13,.31,;7.47,-.46,;8.8,.32,;10.14,-.45,;11.24,-1.52,;10.17,-2.63,;11.5,-3.39,;9.07,-1.56,;8.81,-3.36,;7.5,-2.54,;8.76,-4.9,;11.47,.33,;12.8,-.44,;14.12,.33,;14.12,1.87,;12.77,2.64,;11.45,1.86,;4.8,-.47,;4.81,-2.02,;3.47,-2.79,;2.13,-2.02,;2.14,-.47,;3.47,.3,;.8,.3,;1.56,1.63,;.02,-1.03,;-.54,1.07,;3.47,-4.33,;5,-4.32,;1.92,-4.32,;3.48,-5.87,)|
Structure:
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