Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50179771

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_336032 (CHEMBL867164)

IC50

0.5±n/a nM

Citation

Hollingworth, GJ; Carlson, EJ; Castro, JL; Chicchi, GG; Clark, N; Cooper, LC; Dirat, O; Salvo, JD; Elliott, JM; Kilburn, R; Kurtz, MM; Rycroft, W; Tattersall, FD; Tsao, KL; Swain, CJ Novel lactam NK1 antagonists with anti-emetic activity. Bioorg Med Chem Lett16:1197-201 (2006) [PubMed] Article

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

BDBM50179771

n/a

Name

BDBM50179771

Synonyms:

3-(3,5-bis-trifluoromethyl-phenyl)-1-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-pyrrolidin-2-one | CHEMBL202439

Type

Small organic molecule

Emp. Form.

C32H36F6N2O2

Mol. Mass.

594.6309

SMILES

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1 |wU:20.21,wD:23.28,(6.45,-8.51,;5.13,-9.29,;4.34,-7.96,;5.91,-10.61,;3.8,-10.07,;2.46,-9.32,;1.15,-10.11,;1.15,-11.64,;2.49,-12.4,;3.82,-11.62,;2.5,-13.94,;2.49,-15.48,;4.04,-13.94,;.96,-13.95,;-.36,-9.8,;-1,-8.4,;-2.53,-8.57,;-2.84,-10.08,;-1.5,-10.84,;-1.33,-12.37,;-4.16,-10.86,;-2.83,-11.64,;-2.83,-13.18,;-4.16,-13.94,;-5.49,-13.18,;-5.49,-11.64,;-4.16,-15.48,;-5.5,-16.25,;-5.5,-17.78,;-4.18,-18.55,;-5.51,-19.32,;-5.2,-20.82,;-3.67,-20.99,;-3.04,-19.59,;-2.83,-17.79,;-2.83,-16.24,;-5.51,-10.09,;-5.51,-8.54,;-6.85,-7.77,;-8.19,-8.55,;-8.18,-10.1,;-6.84,-10.87,)|

Structure