Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162024

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

3.6±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

BDBM50162024

n/a

Name

BDBM50162024

Synonyms:

3-((S)-2-Cyclobutylamino-propyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL179600

Type

Small organic molecule

Emp. Form.

C26H28F3N3O3

Mol. Mass.

487.514

SMILES

COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCC2)c1=O |wU:26.28,(2.42,6.57,;3.73,5.82,;3.73,4.28,;5.1,3.51,;5.06,1.97,;3.73,1.2,;2.42,1.98,;2.42,3.51,;1.08,4.28,;1.08,1.23,;1.08,-.33,;2.42,-1.08,;-.23,-1.08,;-.23,-2.62,;1.08,-3.39,;1.08,-4.92,;-.23,-5.69,;2.42,-5.69,;3.73,-4.92,;3.73,-3.36,;2.42,-2.61,;1.08,-1.82,;-1.58,-.33,;-2.9,-1.08,;-1.58,1.23,;-2.9,1.98,;-4.22,1.2,;-5.56,1.97,;-4.22,-.33,;-5.56,-1.12,;-5.96,-2.61,;-7.45,-2.2,;-7.05,-.71,;-.23,1.98,;-.23,3.53,)|

Structure