Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50162005

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_302845 (CHEMBL827890)

2.8±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

BDBM50162005

n/a

Name

BDBM50162005

Synonyms:

3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-chloro-phenyl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL426783

Type

Small organic molecule

Emp. Form.

C26H22ClF2N3O2

Mol. Mass.

481.922

SMILES

Cc1c(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F |wD:14.15,(2.9,-1.34,;1.57,-.58,;1.57,.96,;2.9,1.73,;4.22,.95,;5.56,1.71,;5.56,3.27,;4.22,4.02,;2.9,3.27,;1.57,4.04,;.23,1.73,;.23,3.27,;-1.1,.96,;-2.43,1.73,;-3.76,.95,;-3.76,-.59,;-5.11,1.72,;-5.11,3.27,;-6.45,4.02,;-7.79,3.27,;-7.78,1.71,;-6.43,.94,;-1.1,-.58,;-2.43,-1.34,;.23,-1.34,;.23,-2.88,;1.57,-3.66,;1.57,-5.2,;.22,-5.97,;2.9,-5.97,;4.22,-5.2,;4.22,-3.65,;2.9,-2.88,;1.55,-2.09,)|

Structure