BDBM50004677 Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-naphthalen-1-yl ester::Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-naphthalen-1-yl ester (Ionapalene)::Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-naphthalen-1-yl ester (lonapalane)::Acetic acid 4-acetoxy-7-chloro-2,3-dimethoxy-naphthalen-1-yl ester::CHEMBL36648::Lonapalene::RS-43179

SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

InChI Key InChIKey=IFWMVQUGSGWCRP-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004677   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  740nMAssay Description:Inhibitory activity of the compound against 5-lipoxygenase of RBL-1 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase A2, major isoenzyme(Sus scrofa (pig))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibitory activity of the compound against phospholipase A2 of Croatalus adamanteusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-lipoxygenase(Bos taurus)
UniversitäT Regensburg

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50: >5.00E+4nMAssay Description:Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-lipoxygenase(Bos taurus)
UniversitäT Regensburg

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  500nMAssay Description:Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  1.44E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  700nMAssay Description:Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  500nMAssay Description:The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1/2(Bos taurus)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50: >7.50E+5nMAssay Description:Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-lipoxygenase(Bos taurus)
UniversitäT Regensburg

Curated by ChEMBL
LigandPNGBDBM50004677(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Affinity DataIC50:  500nMAssay Description:Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed