Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162017

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

3.9±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

BDBM50162017

n/a

Name

BDBM50162017

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-(5-fluoro-2-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL362065

Type

Small organic molecule

Emp. Form.

C27H22F5N3O2

Mol. Mass.

515.4745

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F |wD:14.15,(3.83,-.8,;2.5,-.03,;2.5,1.51,;3.83,2.28,;5.16,1.49,;6.49,2.26,;6.49,3.8,;5.16,4.57,;3.83,3.8,;2.5,4.59,;1.17,2.28,;1.17,3.82,;-.16,1.51,;-1.49,2.28,;-2.82,1.49,;-2.82,-.05,;-4.15,2.26,;-5.48,1.49,;-6.81,2.26,;-6.83,3.8,;-5.48,4.57,;-4.15,3.8,;-.16,-.03,;-1.49,-.8,;1.17,-.8,;1.17,-2.34,;-.16,-3.11,;-1.49,-2.32,;-2.82,-3.09,;-4.15,-2.32,;-2.82,-4.63,;-1.49,-5.4,;-.16,-4.63,;1.19,-5.4,;2.4,-6.1,;1.45,-6.98,;2.68,-4.83,)|

Structure