BDBM50067485 3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; hydrochloride::CHEMBL544440::CHEMBL71917::T-98475

SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1

InChI Key InChIKey=RANJJVIMTOIWIN-UHFFFAOYSA-N

Data  2 KI  21 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50067485   

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

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity towards 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
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataKi:  60nMAssay Description:Binding affinity of the compound was determined towards rat Gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  60nMAssay Description:Binding affinity of the compound against gonadotropin-releasing hormone receptor of ratMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  0.600nMAssay Description:Ability of compound to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the rat Gonadotropin-releasing hormone receptor was evaluate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  0.200nMAssay Description:Ability of compound to inhibit [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  60nMAssay Description:Inhibition of Rat gonadotropin-releasing hormone receptor(moderate affinity)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  60nMAssay Description:Inhibition of 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
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  0.200nMAssay Description:Binding affinity at human GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Macaca mulatta)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  4nMAssay Description:Binding affinity at monkey GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  60nMAssay Description:Binding affinity at rat GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50067485(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Affinity DataIC50:  0.200nMAssay Description:Inhibitory activity against human GnRH receptor of the compound using des-Gly10[125I-Tyr5, D-Leu, NMeLeu, Pro-NEt]GnRH radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed