Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50114939

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_205739

IC50

0.440000±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 Lett12:1755-8 (2002) [PubMed]

More Info.:

Get all data from this article, Assay Method

Substance-P receptor

Name:

Substance-P receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

46254.43

Organism:

Homo sapiens (Human)

Description:

P25103

Residue:

407

Sequence:

MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS

BDBM50114939

n/a

Name

BDBM50114939

Synonyms:

2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-3-hydroxy-propionamide | CHEMBL50867

Type

Small organic molecule

Emp. Form.

C34H35F7N2O2

Mol. Mass.

636.6427

SMILES

OCC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:6.5,wD:9.12,(10.2,2.65,;9.45,1.3,;10.23,-.03,;8.9,-.8,;8.89,-2.34,;7.57,-.03,;6.24,-.8,;7.57,-1.59,;7.57,-3.11,;6.21,-3.88,;4.88,-3.11,;4.9,-1.57,;6.21,-5.42,;4.9,-6.19,;4.9,-7.73,;6.21,-8.5,;7.54,-7.73,;7.54,-6.19,;6.21,-10.04,;4.88,-10.81,;4.88,-12.35,;6.21,-13.12,;6.21,-14.66,;7.56,-12.33,;7.54,-10.81,;4.9,-.03,;4.9,1.51,;3.55,2.28,;2.2,1.51,;2.22,-.05,;3.57,-.8,;11.56,-.8,;12.89,-.03,;14.22,-.8,;14.22,-2.34,;12.89,-3.11,;11.56,-2.34,;12.88,-4.65,;11.55,-5.42,;14.22,-5.42,;11.39,-4.25,;15.55,-.03,;15.94,-1.5,;16.88,-.78,;15.55,1.51,)|

Structure