Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50179775

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_336032 (CHEMBL867164)

IC50

0.48±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

BDBM50179775

n/a

Name

BDBM50179775

Synonyms:

4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-3-methyl-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-(2-chlorophenyl)piperazin-2-one | CHEMBL381984

Type

Small organic molecule

Emp. Form.

C35H34ClF6N3O2

Mol. Mass.

678.107

SMILES

CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1Cl)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(21.77,-10.25,;21.01,-11.59,;20.37,-10.19,;18.84,-10.36,;18.53,-11.87,;19.87,-12.63,;20.05,-14.16,;17.21,-12.65,;18.54,-13.42,;18.54,-14.96,;17.21,-15.73,;15.88,-14.96,;15.88,-13.42,;17.21,-17.27,;15.87,-18.04,;15.87,-19.59,;17.21,-20.35,;18.54,-19.58,;19.88,-20.34,;18.54,-18.04,;17.22,-21.89,;15.89,-22.66,;15.89,-24.2,;17.23,-24.97,;18.56,-24.19,;18.55,-22.65,;19.88,-21.87,;15.87,-11.88,;15.87,-10.33,;14.52,-9.56,;13.18,-10.33,;13.19,-11.89,;14.54,-12.66,;22.52,-11.9,;23.84,-11.11,;25.18,-11.86,;25.19,-13.41,;23.86,-14.19,;22.52,-13.43,;23.87,-15.73,;23.86,-17.26,;25.41,-15.73,;22.33,-15.74,;26.5,-11.08,;27.82,-10.3,;25.72,-9.75,;27.29,-12.4,)|

Structure