Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50179774

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_336032 (CHEMBL867164)

IC50

1.1±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

BDBM50179774

n/a

Name

BDBM50179774

Synonyms:

4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one | CHEMBL203961

Type

Small organic molecule

Emp. Form.

C34H33F6N3O2

Mol. Mass.

629.6351

SMILES

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1 |wU:20.21,wD:23.28,(4.25,-27.42,;2.93,-28.2,;2.14,-26.88,;3.71,-29.53,;1.6,-28.99,;.26,-28.24,;-1.06,-29.02,;-1.05,-30.56,;.29,-31.32,;1.62,-30.54,;.3,-32.86,;.29,-34.39,;1.84,-32.86,;-1.24,-32.87,;-2.56,-28.72,;-3.2,-27.31,;-4.73,-27.49,;-5.04,-29,;-3.7,-29.76,;-3.53,-31.29,;-6.36,-29.77,;-5.03,-30.55,;-5.03,-32.09,;-6.36,-32.85,;-7.69,-32.09,;-7.69,-30.55,;-6.36,-34.39,;-7.7,-35.17,;-7.7,-36.72,;-6.36,-37.48,;-5.03,-36.7,;-3.7,-37.47,;-5.03,-35.17,;-6.36,-39.02,;-7.69,-39.79,;-7.68,-41.33,;-6.35,-42.1,;-5.01,-41.31,;-5.02,-39.78,;-7.71,-29,;-7.71,-27.45,;-9.05,-26.68,;-10.39,-27.46,;-10.38,-29.02,;-9.04,-29.78,)|

Structure