BDBM24560 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid::CHEMBL518038::Pirinixic acid-based compound, 6a

SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O

InChI Key InChIKey=HVJBWTVMRIOTEL-UHFFFAOYSA-N

Data  10 IC50  4 EC50

  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 14 hits for monomerid = 24560   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataEC50:  4.10E+3nMpH: 7.4 T: 2°CAssay Description:For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  1.00E+3nMAssay Description:Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  3.60E+3nMAssay Description:Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataEC50:  3.60E+3nMAssay Description:Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataEC50:  3.60E+3nMAssay Description:Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Lucif...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50: >10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  6.50E+3nMAssay Description:Inhibition of human recombinant 5-LO expressed in Escherichia coli by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibition of 5-LO in PMNL cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of mPGES1 in human A549 cells assessed as inhibition of IL-1-beta-induced PGE2 formation by cell-intact assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50: >10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

LigandPNGBDBM24560(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed