Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50179776

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_336032 (CHEMBL867164)

IC50

1.5±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

BDBM50179776

n/a

Name

BDBM50179776

Synonyms:

4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-2-oxopiperidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one | CHEMBL380651

Type

Small organic molecule

Emp. Form.

C35H35F6N3O2

Mol. Mass.

643.6617

SMILES

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1 |wU:21.22,wD:24.29,(26.35,-27.81,;25.03,-28.59,;24.24,-27.26,;25.82,-29.91,;23.7,-29.37,;22.36,-28.62,;21.05,-29.41,;21.05,-30.94,;22.39,-31.7,;23.72,-30.92,;22.4,-33.24,;22.39,-34.77,;23.94,-33.24,;20.86,-33.25,;19.7,-28.67,;19.7,-27.13,;18.37,-26.35,;17.04,-27.13,;17.04,-28.67,;18.37,-29.43,;18.39,-30.97,;15.72,-29.45,;17.05,-30.22,;17.05,-31.76,;15.72,-32.53,;14.39,-31.76,;14.39,-30.22,;15.72,-34.07,;14.38,-34.84,;14.38,-36.37,;15.7,-37.14,;17.05,-36.38,;18.37,-37.15,;17.05,-34.83,;15.7,-38.68,;14.36,-39.44,;14.35,-40.98,;15.68,-41.76,;17.02,-40.99,;17.02,-39.45,;14.37,-28.68,;14.37,-27.13,;13.03,-26.36,;11.69,-27.13,;11.7,-28.69,;13.04,-29.46,)|

Structure