BDBM50122654 1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)amino)methyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea::1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-3-methoxy-urea::CHEMBL22055::N-[4-(3-phenyl-5-(N-benzyl-N-methyl-aminomethyl)-1-(2,6-difluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl]-N'-methoxyurea::TAK-013::sufugolix

SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1

InChI Key InChIKey=UCQSBGOFELXYIN-UHFFFAOYSA-N

Data  1 KI  98 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50122654   

TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  1.90nMAssay Description:Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  1.30nMAssay Description:Displacement of [125I]leuprorelin from rat GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  270nMAssay Description:Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  1.60nMAssay Description:Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  0.0600nMAssay Description:Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  0.100nMAssay Description:Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed