BDBM50038649 2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid::CHEMBL300982::Licofelone::ML-3000::[2-(4-Chloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid::[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID

SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1

InChI Key InChIKey=UAWXGRJVZSAUSZ-UHFFFAOYSA-N

Data  30 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50038649   

Target5-lipoxygenase(Bos taurus)
Merckle

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  180nMAssay Description:Inhibition of 5-lipoxygenase in bovine PMNL cell assay.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))TBA
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of FLAP in human PMNL cells assessed as inhibition of 5-LO product LT formation preincubated for 15 mins followed by calcium ionophore A23...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 1(Bos taurus)
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  200nMAssay Description:Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as blockade of PGH2 to PGE2 conversion after 1 minMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  6.70E+3nMAssay Description:Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  210nMAssay Description:Inhibition constant against arachidonate 5-lipoxygenase More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  160nMAssay Description:Inhibitory concentration against prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  370nMAssay Description:Inhibitory concentration against prostaglandin G/H synthase 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as reduction in PGE2 production incubated for 24 hrs at 37 degC by enzyme immunoass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of mPGES1 expressed in Escherichia coli Rosetta-DE3 assessed as reduction in PGE2 production by enzyme immunoassay based cell-free system ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  180nMAssay Description:Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Peking University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of 5-LOX in rat RBL1 cells assessed as reduction in LTB4 productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  180nMAssay Description:Inhibition of 5-LOX (unknown origin) by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  500nMAssay Description:Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataEC50:  100nMAssay Description:Inhibition of mPGES1 in human A549 cells assessed as reduction in PGE2 productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  800nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Bos taurus)
Johannes Gutenberg University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  150nMAssay Description:Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-lipoxygenase(Bos taurus)
Merckle

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  760nMAssay Description:Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  370nMAssay Description:Inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Banaras Hindu University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  160nMAssay Description:Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  9.85E+3nMAssay Description:Inhibition of human COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  450nMAssay Description:Inhibition of human COX2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  510nMAssay Description:Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 10...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Banaras Hindu University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  210nMAssay Description:Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  210nMAssay Description:Inhibition of COX1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  180nMAssay Description:Inhibition of 5-LOX (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human 5-LO expressed in Escherichia coli JM109 using arachidonic acid as substrate incubated for 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  230nMAssay Description:Inhibition of human 5-lipoxygenase in human cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed