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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 69 hits for monomerid = 50006805
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
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...More data for this Ligand-Target Pair
Affinity DataIC50: 17nMAssay Description:Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 minsMore data for this Ligand-Target Pair
3D Structure (crystal)TargetArachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase(Human)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataIC50: 30nMAssay Description:Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophilsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of mPGES1More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen
Curated by ChEMBL
Eberhard Karls University Tuebingen
Curated by ChEMBL
Affinity DataIC50: 90nMAssay Description:Inhibition of 5-LO in PMNL cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cells microsomal membranes assessed as reduction in conversion of PGH2 to PGE2 pre-...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Inhibition of microsomal PGES-1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIAMore data for this Ligand-Target Pair
Affinity DataIC50: 26nMAssay Description:Inhibition of FLAP (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen
Curated by ChEMBL
Eberhard Karls University Tuebingen
Curated by ChEMBL
Affinity DataIC50: 90nMAssay 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
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen
Curated by ChEMBL
Eberhard Karls University Tuebingen
Curated by ChEMBL
Affinity DataIC50: 90nMAssay Description:Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated human PMNL incubated 10 mins prior to fMLP challengeMore data for this Ligand-Target Pair
Affinity DataIC50: 2.5nMAssay Description:Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Displacement of [125I]-L-691831 from FLAP in human Leucocyte membrane incubated for 20 mins by radioactivity based gamma-scintillation counter assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant LTC4S (unknown origin) expressed in COS cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...More data for this Ligand-Target Pair
Affinity DataIC50: 2.15E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of ovine COX-1 assessed as 12-HHT formation preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 5...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of ovine COX-1 assessed as 12-HHT formation preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 5...More data for this Ligand-Target Pair
Affinity DataIC50: 2.5nMAssay Description:Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of...More data for this Ligand-Target Pair
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 mins by RP-HPLC an...More data for this Ligand-Target Pair
Affinity DataEC50: 1.12E+4nMAssay Description:SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...More data for this Ligand-Target Pair
Affinity DataIC50: 2.15E+4nMAssay Description:The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen
Curated by ChEMBL
Eberhard Karls University Tuebingen
Curated by ChEMBL
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 incubated for 15 mins prior to prewarming for 30 secs followed by CaCl2+ and ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of mPGES1 in human A549 cell microsomesMore data for this Ligand-Target Pair
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 5 mins by HPLC a...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human A549 cell microsomal membrane-derived mPGES-1 assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins follow...More data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA i...More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...More data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...More data for this Ligand-Target Pair
TargetProstaglandin E synthase 2(Human)
Merck Frosst Centre For Therapeutic Research
Curated by ChEMBL
Merck Frosst Centre For Therapeutic Research
Curated by ChEMBL
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)More data for this Ligand-Target Pair
Affinity DataIC50: 5.80E+4nMAssay Description:Inhibition of human recombinant COX2 in cell-free system by enzyme immunoassayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 11 hrs by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 5.70nMAssay Description:Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a...More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen
Curated by ChEMBL
Eberhard Karls University Tuebingen
Curated by ChEMBL
Affinity DataIC50: 10nMAssay Description:Inhibition of Human 5-lipoxygenaseMore data for this Ligand-Target Pair