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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004677   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 5-lipoxygenase of RBL-1 cell line				J Med Chem 35: 3148-55 (1992) BindingDB Entry DOI: 10.7270/Q2V69HJ7
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against phospholipase A2 of Croatalus adamanteus				J Med Chem 35: 3148-55 (1992) BindingDB Entry DOI: 10.7270/Q2V69HJ7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes				J Med Chem 36: 4099-107 (1994) BindingDB Entry DOI: 10.7270/Q2G44PC2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes				J Med Chem 37: 1660-9 (1994) BindingDB Entry DOI: 10.7270/Q2H70DW9
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours and Company, Inc. Curated by ChEMBL					Assay Description Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line				J Med Chem 33: 360-70 (1990) BindingDB Entry DOI: 10.7270/Q2513ZSJ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1				J Med Chem 35: 2501-24 (1992) BindingDB Entry DOI: 10.7270/Q23B60R4
					More data for this Ligand-Target Pair
Cyclooxygenase (Bos taurus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay 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 analysis				J Med Chem 35: 3148-55 (1992) BindingDB Entry DOI: 10.7270/Q2V69HJ7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50004677 (Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...) Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).				J Med Chem 36: 4099-107 (1994) BindingDB Entry DOI: 10.7270/Q2G44PC2
					More data for this Ligand-Target Pair