Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162019

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

53±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

BDBM50162019

n/a

Name

BDBM50162019

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-1-benzyl-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL434906

Type

Small organic molecule

Emp. Form.

C26H24FN3O2

Mol. Mass.

429.4861

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1 |wD:14.15,(3.95,-1.61,;2.61,-.84,;2.61,.7,;3.95,1.47,;5.27,.69,;6.61,1.46,;6.61,3,;5.27,3.77,;3.95,3,;2.61,3.77,;1.28,1.49,;1.28,3.03,;-.04,.7,;-1.38,1.47,;-2.7,.69,;-2.7,-.85,;-4.05,1.46,;-5.37,.69,;-6.71,1.45,;-6.71,3,;-5.38,3.77,;-4.05,3,;-.04,-.84,;-1.38,-1.61,;1.28,-1.59,;1.28,-3.13,;-.04,-3.9,;-1.38,-3.13,;-2.72,-3.9,;-2.72,-5.44,;-1.37,-6.21,;-.04,-5.44,)|

Structure