Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50114946
Substrate
n/a
Meas. Tech.
ChEMBL_205739 (CHEMBL812171)
IC50
140±n/a nM
Citation
 Elliott, JM; Castro, JL; Chicchi, GG; Cooper, LC; Dinnell, K; Hollingworth, GJ; Ridgill, MP; Rycroft, W; Kurtz, MM; Shaw, DE; Swain, CJ; Tsao, KL; Yang, L 4,4-Disubstituted cyclohexylamine NK(1) receptor antagonists I. Bioorg Med Chem Lett 12:1755-8 (2002) [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:
BDBM50114946
Synonyms:
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid 3,5-bis-trifluoromethyl-benzyl ester | CHEMBL295735
Type:
Small organic molecule
Emp. Form.:
C33H32F7NO2
Mol. Mass.:
607.6015
SMILES:
Fc1ccc(cc1)C1CCN(CC1)C1CCC(CC1)(C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |(7.82,-20.4,;7.82,-18.86,;6.49,-18.09,;6.49,-16.55,;7.82,-15.78,;9.15,-16.55,;9.15,-18.08,;7.82,-14.24,;9.15,-13.49,;9.15,-11.95,;7.82,-11.16,;6.49,-11.95,;6.49,-13.49,;7.82,-9.62,;6.49,-8.87,;6.49,-7.31,;7.84,-6.56,;9.17,-7.33,;9.17,-8.87,;9.17,-5.77,;9.15,-4.23,;10.5,-6.54,;11.83,-5.77,;13.16,-6.54,;14.49,-5.77,;15.82,-6.54,;15.83,-8.08,;14.49,-8.85,;13.16,-8.08,;14.47,-10.39,;13.14,-11.16,;15.82,-11.16,;13,-9.99,;17.15,-5.77,;17.55,-7.26,;18.49,-6.53,;17.15,-4.23,;6.49,-5.79,;6.49,-4.23,;5.16,-3.46,;3.81,-4.23,;3.83,-5.79,;5.16,-6.56,)|
Structure:
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