Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162010

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

61±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

BDBM50162010

n/a

Name

BDBM50162010

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-1-(3-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL179663

Type

Small organic molecule

Emp. Form.

C26H23F2N3O2

Mol. Mass.

447.4765

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccc(F)c1 |wD:14.15,(4,-1.38,;2.64,-.61,;2.64,.93,;4,1.72,;5.3,.93,;6.66,1.7,;6.66,3.24,;5.3,4.01,;3.97,3.24,;2.64,4.01,;1.31,1.72,;1.31,3.26,;.01,.93,;-1.35,1.72,;-2.68,.93,;-2.68,-.61,;-4.01,1.7,;-4.01,3.24,;-5.34,4.01,;-6.67,3.24,;-6.67,1.68,;-5.34,.93,;.01,-.61,;-1.35,-1.38,;1.31,-1.36,;1.31,-2.9,;-.02,-3.67,;-1.35,-2.89,;-2.68,-3.66,;-2.68,-5.2,;-1.32,-5.97,;-1.32,-7.51,;.01,-5.2,)|

Structure