BDBM50125265 CHEMBL204021::N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-cyclopentapyrimidin-1-yl]-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide

SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1

InChI Key InChIKey=WDPFJWLDPVQCAJ-UHFFFAOYSA-N

Data  1 KI  17 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50125265   

TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataKi:  0.110nMAssay Description:Inhibitory activity against recombinant human Lp-PLA2More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.25nMAssay Description:Inhibition of human Lp-PLA2More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  5nMAssay Description:Inhibitory activity against Lp-PLA2 in whole human plasmaMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.25nMAssay Description:Inhibition of Lp-PLA2 (unknown origin)More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 minsMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysisMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.0490nMAssay Description:Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assayMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  35nMAssay Description:Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataKd:  49.7nMAssay Description:Binding affinity to human Lp-PLA2 by ITC assayMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of recombinant human Lp-PLA2 using [3H]PAF as substrate at 10 nM incubated for 5 mins prior to substrate addition measured after 10 mins b...More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.0631nMAssay Description:Inhibition of human recombinant LpPLA2More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.25nMAssay Description:Inhibitory activity against recombinant human Lp-PLA2 by mechanistic studiesMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.0490nMAssay Description:Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assayMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.0490nMAssay Description:Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrateMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.0350nMAssay Description:Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate additionMore data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat...More data for this Ligand-Target Pair
TargetPlatelet-activating factor acetylhydrolase(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50: <0.100nMAssay Description:Inhibition of Lp-PLA2 in human plasma LDL fractions using 2-thio platelet-activating factor as substrate by TMB dye based spectrophotometryMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  2.60E+4nMAssay Description:Inhibitory activity against Cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50125265(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Affinity DataIC50:  2.70E+4nMAssay Description:Inhibitory activity against CYP450 3A4 isozymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed