BDBM50122652 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-ethylurea::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-ethyl-urea::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-ethyl-urea; HCL.1.5H2O::CHEMBL435167

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

InChI Key InChIKey=QXPNCZJTKXSGQY-UHFFFAOYSA-N

Data  1 KI  19 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 20 hits for monomerid = 50122652   

TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 40nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 0.100nMAssay Description:Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 0.0700nMAssay Description:Tested for inhibition of arachidonic acid(AA) release from CHO cells in HumanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 0.300nMAssay Description:Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in monkey (ch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 7nMAssay Description:Tested for inhibition of arachidonic acid(AA) release from CHO cells in MonkeyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Rat)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 200nMAssay Description:Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in rat anteri...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 40nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 9nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 0.900nMAssay Description:Displacement of [125I]-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 60nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 50nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 1nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 26nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 2.10nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 23nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 0.310nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 28nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 60nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataIC50: 1.10nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50122652(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards human gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed