BDBM50133856 1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::1-(2,6-difluorobenzyl)-5-((methyl(2-(pyridin-2-yl)ethyl)amino)methyl)-6-(4-nitrophenyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione::CHEMBL333518

SMILES CN(CCc1ccccn1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=XPNXWVWCCJFVPE-UHFFFAOYSA-N

Data  1 KI  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50133856   

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

Curated by ChEMBL
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity towards human gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  2.65E+3nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  110nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  900nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  52nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  200nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  400nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  4.50E+3nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  3.60E+3nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  40nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  240nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  450nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  2.00E+3nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50:  58nMAssay 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
LigandPNGBDBM50133856(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed