BDBM50098391 (S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(pyrimidin-4-yl)-3-(3,4,5-trimethylphenyl)-1,2-dihydroquinoline-6-carboxamide::4-((S)-2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide::4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide::CHEMBL120432

SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O

InChI Key InChIKey=XESORVDKNANWAB-IBGZPJMESA-N

Data  3 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 14 hits for monomerid = 50098391   

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

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  0.5nMAssay Description:In vitro inhibition of gonadotropin-releasing hormone receptor in rhesus monkeyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  81nMAssay Description:Functional antagonism at GnRH receptor in rat (PI turnover)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  4nMAssay Description:In vitro inhibition of binding of the compound to GnRH receptor in ratMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  1nMAssay Description:Functional antagonism at the human GnRH receptor (PI turnover)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  60nMAssay Description:In vitro inhibition of binding of the compound to gonadotropin-releasing hormone receptor in dogMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  0.440nMAssay Description:Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  0.440nMAssay Description:Inhibition of Human gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  4nMAssay Description:Inhibition of Rat 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
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  1nMAssay Description:Activity at human GnRH receptor by inositol phosphate functional assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  350nMAssay Description:Functional antagonism at gonadotropin-releasing hormone receptor in dog (PI turnover)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Macaca mulatta)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  7nMAssay Description:Activity at rhesus monkey GnRH receptor by inositol phosphate functional assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  0.440nMAssay Description:In vitro inhibition of binding of the compound to GnRH receptor in humanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50098391((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Affinity DataIC50:  7nMAssay Description:Functional antagonism at the rhesus monkey gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed