Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50114933
Substrate
n/a
Meas. Tech.
ChEBML_205739
IC50
0.340000±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:
BDBM50114933
Synonyms:
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid 3,5-bis-trifluoromethyl-benzylamide | CHEMBL51889
Type:
Small organic molecule
Emp. Form.:
C33H33F7N2O
Mol. Mass.:
606.6167
SMILES:
Fc1ccc(cc1)C1CCN(CC1)C1CCC(CC1)(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |(6.21,-12.46,;6.21,-10.92,;4.86,-10.15,;4.86,-8.61,;6.21,-7.85,;7.54,-8.61,;7.54,-10.15,;6.21,-6.31,;7.54,-5.55,;7.54,-4.01,;6.21,-3.23,;4.88,-4.01,;4.88,-5.55,;6.21,-1.69,;4.88,-.93,;4.88,.62,;6.21,1.38,;7.54,.61,;7.54,-.93,;7.54,2.16,;7.54,3.7,;8.87,1.39,;10.2,2.16,;11.53,1.39,;12.86,2.16,;14.19,1.4,;14.22,-.15,;12.86,-.92,;11.53,-.15,;12.86,-2.46,;11.53,-3.23,;14.19,-3.23,;11.37,-2.05,;15.52,2.17,;15.52,3.71,;15.94,.68,;16.88,1.4,;4.88,2.15,;3.55,1.38,;2.2,2.15,;2.2,3.7,;3.53,4.48,;4.88,3.71,)|
Structure:
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