Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162008

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

0.61±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

BDBM50162008

n/a

Name

BDBM50162008

Synonyms:

(R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione | 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-6-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL360143

Type

Small organic molecule

Emp. Form.

C26H22ClF2N3O2

Mol. Mass.

481.922

SMILES

Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl |r,wD:14.15,(32.48,-29.08,;31.15,-28.31,;31.15,-26.77,;32.48,-26,;33.81,-26.77,;35.14,-26,;35.14,-24.46,;33.8,-23.69,;32.47,-24.47,;31.13,-23.7,;29.82,-25.99,;29.82,-24.45,;28.49,-26.77,;27.15,-26.01,;25.82,-26.78,;25.83,-28.32,;24.49,-26.02,;24.49,-24.47,;23.16,-23.71,;21.82,-24.48,;21.83,-26.03,;23.17,-26.79,;28.49,-28.31,;27.16,-29.08,;29.82,-29.07,;29.82,-30.61,;31.15,-31.38,;32.47,-30.61,;31.13,-29.84,;33.81,-31.38,;33.81,-32.93,;32.48,-33.7,;31.14,-32.93,;29.81,-33.69,)|

Structure