Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50261243

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_495152 (CHEMBL1008931)

IC50

0.5±n/a nM

Citation

Chen, C; Wu, D; Guo, Z; Xie, Q; Reinhart, GJ; Madan, A; Wen, J; Chen, T; Huang, CQ; Chen, M; Chen, Y; Tucci, FC; Rowbottom, M; Pontillo, J; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem51:7478-85 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Gonadotropin-releasing hormone receptor

Name:

Gonadotropin-releasing hormone receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

37749.45

Organism:

Homo sapiens (Human)

Description:

P30968

Residue:

328

Sequence:

MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKL
QKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYL
KLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRM
IHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTR
VLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRL
SDPVNHFFFLFAFLNPCFDPLIYGYFSL

BDBM50261243

n/a

Name

BDBM50261243

Synonyms:

(R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione | 3-[(2R)-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione | CHEMBL468551

Type

Small organic molecule

Emp. Form.

C28H24F5N3O3

Mol. Mass.

545.5005

SMILES

COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:29.31,(2.33,6.39,;1,5.62,;1.01,4.08,;2.35,3.31,;2.35,1.77,;1.02,.99,;-.31,1.77,;-.32,3.3,;-1.66,4.06,;-1.64,1,;-1.64,-.54,;-.31,-1.32,;-2.97,-1.31,;-2.97,-2.85,;-1.64,-3.62,;-.32,-2.85,;-1.66,-2.08,;1.02,-3.61,;1.02,-5.16,;-.31,-5.93,;-1.65,-5.16,;-2.98,-5.92,;-4.32,-6.68,;-2.22,-7.26,;-3.74,-4.59,;-4.3,-.54,;-5.63,-1.32,;-4.3,1,;-5.64,1.76,;-6.97,.99,;-6.96,-.55,;-8.3,1.75,;-8.3,3.29,;-9.64,4.06,;-10.97,3.28,;-10.96,1.74,;-9.62,.98,;-2.97,1.77,;-2.97,3.31,)|

Structure