Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162037

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

7.5±n/a nM

Citation

Tucci, FC; Zhu, YF; Struthers, RS; Guo, Z; Gross, TD; Rowbottom, MW; Acevedo, O; Gao, Y; Saunders, J; Xie, Q; Reinhart, GJ; Liu, XJ; Ling, N; Bonneville, AK; Chen, T; Bozigian, H; Chen, C 3-[(2R)-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione (NBI 42902) as a potent and orally active antagonist of the human gonadotropin-releasing hormone receptor. Design, synthesis, and in vitro and in vivo characterization. J Med Chem48:1169-78 (2005) [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

BDBM50162037

n/a

Name

BDBM50162037

Synonyms:

1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-4-methyl-pentyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL359682

Type

Small organic molecule

Emp. Form.

C27H32F3N3O3

Mol. Mass.

503.5565

SMILES

COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](CC(C)C)N(C)C)c1=O |wU:26.32,(2.43,6.15,;3.76,5.38,;3.76,3.85,;5.11,3.07,;5.11,1.53,;3.76,.76,;2.43,1.54,;2.43,3.07,;1.1,3.85,;1.1,.77,;1.1,-.77,;2.43,-1.54,;-.23,-1.52,;-.23,-3.06,;1.1,-3.83,;2.43,-3.06,;1.08,-2.29,;3.76,-3.83,;3.76,-5.37,;2.43,-6.14,;1.1,-5.37,;-.25,-6.14,;-1.56,-.77,;-2.89,-1.54,;-1.56,.77,;-2.89,1.54,;-4.22,.76,;-5.57,1.53,;-5.57,3.07,;-6.9,3.85,;-4.22,3.85,;-4.22,-.78,;-5.55,-1.55,;-4.22,-2.31,;-.23,1.56,;-.23,3.1,)|

Structure