Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50114951
Substrate
n/a
Meas. Tech.
ChEMBL_205711 (CHEMBL807958)
IC50
0.350000±n/a nM
Citation
 Cooper, LC; Carlson, EJ; Castro, JL; Chicchi, GG; Dinnell, K; Di Salvo, J; Elliott, JM; Hollingworth, GJ; Kurtz, MM; Ridgill, MP; Rycroft, W; Tsao, KL; Swain, CJ 4,4-Disubstituted cyclohexylamine NK(1) receptor antagonists II. Bioorg Med Chem Lett 12:1759-62 (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:
BDBM50114951
Synonyms:
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2,2-dimethyl-1-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide | CHEMBL3085132
Type:
Small organic molecule
Emp. Form.:
C33H40F6N2O2
Mol. Mass.:
610.6733
SMILES:
CC(C(=O)NC1(CCC(CC1)N1CCC2(CCC(C)(C)O2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(4.22,-3.85,;2.78,-4.38,;1.6,-3.39,;.15,-3.91,;1.86,-1.87,;.69,-.88,;-.08,.45,;-1.62,.45,;-2.39,-.88,;-1.62,-2.21,;-.08,-2.21,;-3.93,-.88,;-4.7,.45,;-6.24,.45,;-7.01,-.88,;-7.92,-2.13,;-9.38,-1.65,;-9.38,-.11,;-9.7,1.4,;-10.92,-.27,;-7.92,.37,;-6.24,-2.21,;-4.7,-2.21,;1.86,.11,;1.6,1.63,;2.78,2.62,;4.22,2.09,;4.49,.57,;3.31,-.42,;2.51,-5.89,;1.06,-6.42,;.8,-7.94,;1.97,-8.93,;3.42,-8.4,;3.69,-6.88,;4.6,-9.39,;5.78,-10.38,;3.61,-10.57,;5.59,-8.21,;-.65,-8.46,;-2.1,-8.99,;-.13,-9.91,;-1.18,-7.02,)|
Structure:
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