BDBM50260757 (R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-fluoro-3-methoxyphenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoate::CHEMBL455769

SMILES COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1

InChI Key InChIKey=FDMBTLJSOVSBHD-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50260757   

TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50260757((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Affinity DataIC50: 510nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50260757((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Affinity DataIC50: 510nMAssay Description:Inhibition of recombinant CYP3A4 by microtiter plate-based fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50260757((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Affinity DataKi:  32nMAssay Description:Binding affinity to human GnRHRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50260757((R)-methyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)be...)
Affinity DataKi:  32nMAssay Description:Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed