Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50114937

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_205739 (CHEMBL812171)

IC50

0.350±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

BDBM50114937

n/a

Name

BDBM50114937

Synonyms:

4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide | CHEMBL49176

Type

Small organic molecule

Emp. Form.

C34H35F7N2O

Mol. Mass.

620.6433

SMILES

CC(NC(=O)[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(11.04,-4.44,;11.83,-5.77,;10.5,-6.54,;9.17,-5.77,;9.15,-4.23,;7.84,-6.56,;9.17,-7.33,;9.17,-8.87,;7.82,-9.62,;6.49,-8.87,;6.49,-7.31,;7.82,-11.16,;6.49,-11.95,;6.49,-13.49,;7.82,-14.24,;9.15,-13.49,;9.15,-11.95,;7.82,-15.78,;6.49,-16.55,;6.49,-18.09,;7.82,-18.86,;7.82,-20.4,;9.15,-18.08,;9.15,-16.55,;6.49,-5.79,;5.16,-6.56,;3.83,-5.79,;3.81,-4.23,;5.16,-3.46,;6.49,-4.23,;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,)|

Structure