Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162011

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

21±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

BDBM50162011

n/a

Name

BDBM50162011

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-4-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL436276

Type

Small organic molecule

Emp. Form.

C26H22ClF2N3O2

Mol. Mass.

481.922

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccc(F)cc1Cl |wD:14.15,(4.04,-1.24,;2.69,-.47,;2.69,1.07,;4.04,1.84,;5.35,1.07,;6.7,1.82,;6.7,3.36,;5.35,4.13,;4.02,3.36,;2.69,4.15,;1.36,1.84,;1.36,3.38,;.05,1.07,;-1.3,1.84,;-2.63,1.07,;-2.63,-.47,;-3.96,1.84,;-3.96,3.36,;-5.29,4.13,;-6.63,3.36,;-6.62,1.82,;-5.29,1.05,;.05,-.47,;-1.3,-1.24,;1.36,-1.24,;1.36,-2.78,;.03,-3.55,;-1.3,-2.76,;-2.63,-3.52,;-2.63,-5.06,;-3.96,-5.84,;-1.28,-5.83,;.05,-5.06,;1.38,-5.83,)|

Structure