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
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50122654   

TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  0.700nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  0.5nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  1.90nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  120nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  1.20nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  12nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  0.800nMAssay Description:Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  190nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  10nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  100nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  24nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  6nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  110nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122654(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50:  24nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed