BDBM50006805 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid::3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL29097::MK-886::MK886::cid_3651377

SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1

InChI Key InChIKey=QAOAOVKBIIKRNL-UHFFFAOYSA-N

Data  67 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50006805   

TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  26nMAssay Description:Binding affinity to FLAPMore data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.11E+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
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  90nMAssay Description:Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.10E+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

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  90nMAssay Description:Inhibition of 5-LO in PMNL cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50: >10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50: >10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of mPGES1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed