Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50114936
Substrate
n/a
Meas. Tech.
ChEBML_205739
IC50
5.3±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:
BDBM50114936
Synonyms:
1-{4-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxymethyl]-4-phenyl-cyclohexyl}-4-(4-fluoro-phenyl)-piperidine | CHEMBL296629
Type:
Small organic molecule
Emp. Form.:
C34H36F7NO
Mol. Mass.:
607.6446
SMILES:
CC(OC[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:4.3,wD:7.10,(9.43,2.17,;10.22,.84,;8.89,.07,;7.56,.84,;6.23,.06,;7.56,-.72,;7.56,-2.25,;6.21,-3.01,;4.88,-2.25,;4.88,-.7,;6.21,-4.55,;7.54,-5.33,;7.54,-6.87,;6.21,-7.63,;4.88,-6.87,;4.88,-5.33,;6.21,-9.17,;7.54,-9.94,;7.54,-11.46,;6.21,-12.25,;6.21,-13.79,;4.88,-11.48,;4.88,-9.94,;4.88,.83,;4.88,2.38,;3.55,3.15,;2.2,2.38,;2.22,.82,;3.55,.06,;11.55,.07,;12.88,.84,;14.21,.07,;14.22,-1.47,;12.88,-2.24,;11.55,-1.47,;12.86,-3.78,;11.53,-4.55,;14.21,-4.55,;11.39,-3.38,;15.54,.84,;15.54,2.38,;15.94,-.64,;16.88,.09,)|
Structure:
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