Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162023

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

3.1±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

BDBM50162023

n/a

Name

BDBM50162023

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1-(2-trifluoromethyl-benzyl)-1H-pyrimidine-2,4-dione | CHEMBL360367

Type

Small organic molecule

Emp. Form.

C27H23F4N3O2

Mol. Mass.

497.484

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1C(F)(F)F |wD:14.15,(3.73,-.86,;2.39,-.1,;2.39,1.45,;3.73,2.21,;5.04,1.42,;6.38,2.19,;6.38,3.73,;5.04,4.5,;3.72,3.73,;2.39,4.52,;1.05,2.21,;1.05,3.77,;-.27,1.45,;-1.61,2.21,;-2.94,1.42,;-2.94,-.1,;-4.26,2.21,;-4.26,3.73,;-5.6,4.5,;-6.95,3.73,;-6.92,2.19,;-5.6,1.42,;-.27,-.1,;-1.61,-.86,;1.05,-.86,;1.05,-2.4,;-.27,-3.17,;-1.61,-2.39,;-2.94,-3.15,;-2.94,-4.7,;-1.6,-5.46,;-.27,-4.7,;1.07,-5.46,;2.29,-6.16,;1.34,-7.05,;2.57,-4.88,)|

Structure