Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'halabalaki' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ES2 from human recombinant ERbeta by fluorescence polarization assay				J Nat Prod 72: 1603-7 (2009) Article DOI: 10.1021/np900271m BindingDB Entry DOI: 10.7270/Q2D21XRF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of fluorescent estrogen ES2 from human recombinant ERalpha by fluorescence polarization assay				J Nat Prod 72: 1603-7 (2009) Article DOI: 10.1021/np900271m BindingDB Entry DOI: 10.7270/Q2D21XRF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50250229 (2-(2,4-dihydroxyphenyl)-3-formyl-4-hydroxy-6-metho...) Show SMILES COc1cc(O)c2c(C=O)c(oc2c1)-c1ccc(O)cc1O Show InChI InChI=1S/C16H12O6/c1-21-9-5-13(20)15-11(7-17)16(22-14(15)6-9)10-3-2-8(18)4-12(10)19/h2-7,18-20H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from estrogen receptor (unknown origin)				J Nat Prod 63: 1672-4 (2001) BindingDB Entry DOI: 10.7270/Q2SB45HH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50250228 (2-(2,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-benzof...) Show SMILES COc1cc2oc(cc2cc1O)-c1ccc(O)cc1O Show InChI InChI=1S/C15H12O5/c1-19-15-7-13-8(4-12(15)18)5-14(20-13)10-3-2-9(16)6-11(10)17/h2-7,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from estrogen receptor (unknown origin)				J Nat Prod 63: 1672-4 (2001) BindingDB Entry DOI: 10.7270/Q2SB45HH
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after ...				J Nat Prod 77: 441-5 (2014) Article DOI: 10.1021/np401010x BindingDB Entry DOI: 10.7270/Q28K7BKC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267227 (CHEMBL4087914) Show SMILES CC(C)CC(c1c(O)cc(O)c(C(C)=O)c1O)c1c(O)cc(O)c(C(C)=O)c1O Show InChI InChI=1S/C21H24O8/c1-8(2)5-11(18-14(26)6-12(24)16(9(3)22)20(18)28)19-15(27)7-13(25)17(10(4)23)21(19)29/h6-8,11,24-29H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267243 (CHEMBL1984096) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8]-c3c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(28(37)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(36)20-13-21(32(7,8)39)41-31(20)23(17(6)34)29(25)38/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267248 (CHEBI:2440 | CHEMBL488313) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267233 (CHEMBL4075212) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]-[#6@H](-[#8])-[#6](-[#6])=[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |r| Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-19-27(36)25(31(40)24(18(8)34)32(19)41-9)20(12-15(3)4)26-29(38)21(13-22(35)16(5)6)28(37)23(17(7)33)30(26)39/h10,15,20,22,35-40H,5,11-13H2,1-4,6-9H3/t20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267246 (CHEMBL4069303) Show SMILES CC(C)CC(c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O)c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O |c:9,28| Show InChI InChI=1S/C31H36O8/c1-14(2)13-19(22-24(34)17-9-11-30(5,6)38-28(17)20(15(3)32)26(22)36)23-25(35)18-10-12-31(7,8)39-29(18)21(16(4)33)27(23)37/h9-12,14,19,34-37H,13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267234 (Acrofolione A) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c3-[#8]-[#6](-[#6]-c3c(-[#8])c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(29(38)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(37)22(16(5)33)27(36)20-13-21(32(7,8)39)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267227 (CHEMBL4087914) Show SMILES CC(C)CC(c1c(O)cc(O)c(C(C)=O)c1O)c1c(O)cc(O)c(C(C)=O)c1O Show InChI InChI=1S/C21H24O8/c1-8(2)5-11(18-14(26)6-12(24)16(9(3)22)20(18)28)19-15(27)7-13(25)17(10(4)23)21(19)29/h6-8,11,24-29H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267244 (CHEMBL4077368) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6](-[#6])=O)c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c23)c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(29(39)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(38)22(16(5)33)27(37)20-13-21(35)32(7,8)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267244 (CHEMBL4077368) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6](-[#6])=O)c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c23)c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(29(39)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(38)22(16(5)33)27(37)20-13-21(35)32(7,8)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50448447 (CHEMBL3125444) Show SMILES C\C=C(\C=O)[C@@H](CC=O)CC(=O)OCCc1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after ...				J Nat Prod 77: 441-5 (2014) Article DOI: 10.1021/np401010x BindingDB Entry DOI: 10.7270/Q28K7BKC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267248 (CHEBI:2440 | CHEMBL488313) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267246 (CHEMBL4069303) Show SMILES CC(C)CC(c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O)c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O |c:9,28| Show InChI InChI=1S/C31H36O8/c1-14(2)13-19(22-24(34)17-9-11-30(5,6)38-28(17)20(15(3)32)26(22)36)23-25(35)18-10-12-31(7,8)39-29(18)21(16(4)33)27(23)37/h9-12,14,19,34-37H,13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267233 (CHEMBL4075212) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]-[#6@H](-[#8])-[#6](-[#6])=[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |r| Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-19-27(36)25(31(40)24(18(8)34)32(19)41-9)20(12-15(3)4)26-29(38)21(13-22(35)16(5)6)28(37)23(17(7)33)30(26)39/h10,15,20,22,35-40H,5,11-13H2,1-4,6-9H3/t20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267245 (CHEMBL4078358) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(28(38)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(37)20-13-21(35)32(7,8)41-31(20)23(17(6)34)29(25)39/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267248 (CHEBI:2440 | CHEMBL488313) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267241 (CHEMBL4080027) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C41H56O8/c1-22(2)13-11-15-25(7)17-19-29-36(44)32(27(9)42)40(48)34(38(29)46)31(21-24(5)6)35-39(47)30(37(45)33(28(10)43)41(35)49)20-18-26(8)16-12-14-23(3)4/h13-14,17-18,24,31,44-49H,11-12,15-16,19-21H2,1-10H3/b25-17-,26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267247 (CHEMBL4101532) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |c:21| Show InChI InChI=1S/C32H40O8/c1-15(2)10-11-19-26(35)24(28(37)22(17(5)33)30(19)39-9)21(14-16(3)4)25-27(36)20-12-13-32(7,8)40-31(20)23(18(6)34)29(25)38/h10,12-13,16,21,35-38H,11,14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267243 (CHEMBL1984096) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8]-c3c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(28(37)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(36)20-13-21(32(7,8)39)41-31(20)23(17(6)34)29(25)38/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267244 (CHEMBL4077368) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6](-[#6])=O)c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c23)c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(29(39)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(38)22(16(5)33)27(37)20-13-21(35)32(7,8)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267242 (CHEMBL4096534) Show SMILES CC(C)CC(c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C)c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C Show InChI InChI=1S/C31H36O8/c1-12(2)9-17(24-26(34)18-10-20(13(3)4)38-30(18)22(15(7)32)28(24)36)25-27(35)19-11-21(14(5)6)39-31(19)23(16(8)33)29(25)37/h12,17,20-21,34-37H,3,5,9-11H2,1-2,4,6-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267245 (CHEMBL4078358) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(28(38)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(37)20-13-21(35)32(7,8)41-31(20)23(17(6)34)29(25)39/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267234 (Acrofolione A) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c3-[#8]-[#6](-[#6]-c3c(-[#8])c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(29(38)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(37)22(16(5)33)27(36)20-13-21(32(7,8)39)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267241 (CHEMBL4080027) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C41H56O8/c1-22(2)13-11-15-25(7)17-19-29-36(44)32(27(9)42)40(48)34(38(29)46)31(21-24(5)6)35-39(47)30(37(45)33(28(10)43)41(35)49)20-18-26(8)16-12-14-23(3)4/h13-14,17-18,24,31,44-49H,11-12,15-16,19-21H2,1-10H3/b25-17-,26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267247 (CHEMBL4101532) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |c:21| Show InChI InChI=1S/C32H40O8/c1-15(2)10-11-19-26(35)24(28(37)22(17(5)33)30(19)39-9)21(14-16(3)4)25-27(36)20-12-13-32(7,8)40-31(20)23(18(6)34)29(25)38/h10,12-13,16,21,35-38H,11,14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267227 (CHEMBL4087914) Show SMILES CC(C)CC(c1c(O)cc(O)c(C(C)=O)c1O)c1c(O)cc(O)c(C(C)=O)c1O Show InChI InChI=1S/C21H24O8/c1-8(2)5-11(18-14(26)6-12(24)16(9(3)22)20(18)28)19-15(27)7-13(25)17(10(4)23)21(19)29/h6-8,11,24-29H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267233 (CHEMBL4075212) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]-[#6@H](-[#8])-[#6](-[#6])=[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |r| Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-19-27(36)25(31(40)24(18(8)34)32(19)41-9)20(12-15(3)4)26-29(38)21(13-22(35)16(5)6)28(37)23(17(7)33)30(26)39/h10,15,20,22,35-40H,5,11-13H2,1-4,6-9H3/t20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267234 (Acrofolione A) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c3-[#8]-[#6](-[#6]-c3c(-[#8])c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(29(38)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(37)22(16(5)33)27(36)20-13-21(32(7,8)39)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267245 (CHEMBL4078358) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(28(38)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(37)20-13-21(35)32(7,8)41-31(20)23(17(6)34)29(25)39/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267246 (CHEMBL4069303) Show SMILES CC(C)CC(c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O)c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O |c:9,28| Show InChI InChI=1S/C31H36O8/c1-14(2)13-19(22-24(34)17-9-11-30(5,6)38-28(17)20(15(3)32)26(22)36)23-25(35)18-10-12-31(7,8)39-29(18)21(16(4)33)27(23)37/h9-12,14,19,34-37H,13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267247 (CHEMBL4101532) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |c:21| Show InChI InChI=1S/C32H40O8/c1-15(2)10-11-19-26(35)24(28(37)22(17(5)33)30(19)39-9)21(14-16(3)4)25-27(36)20-12-13-32(7,8)40-31(20)23(18(6)34)29(25)38/h10,12-13,16,21,35-38H,11,14H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267241 (CHEMBL4080027) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C41H56O8/c1-22(2)13-11-15-25(7)17-19-29-36(44)32(27(9)42)40(48)34(38(29)46)31(21-24(5)6)35-39(47)30(37(45)33(28(10)43)41(35)49)20-18-26(8)16-12-14-23(3)4/h13-14,17-18,24,31,44-49H,11-12,15-16,19-21H2,1-10H3/b25-17-,26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267240 (CHEMBL4104264) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C31H40O8/c1-14(2)9-11-19-26(34)22(17(7)32)30(38)24(28(19)36)21(13-16(5)6)25-29(37)20(12-10-15(3)4)27(35)23(18(8)33)31(25)39/h9-10,16,21,34-39H,11-13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267242 (CHEMBL4096534) Show SMILES CC(C)CC(c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C)c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C Show InChI InChI=1S/C31H36O8/c1-12(2)9-17(24-26(34)18-10-20(13(3)4)38-30(18)22(15(7)32)28(24)36)25-27(35)19-11-21(14(5)6)39-31(19)23(16(8)33)29(25)37/h12,17,20-21,34-37H,3,5,9-11H2,1-2,4,6-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267243 (CHEMBL1984096) Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8]-c3c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O Show InChI InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(28(37)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(36)20-13-21(32(7,8)39)41-31(20)23(17(6)34)29(25)38/h10,15,19,21,35-39H,11-13H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267240 (CHEMBL4104264) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C31H40O8/c1-14(2)9-11-19-26(34)22(17(7)32)30(38)24(28(19)36)21(13-16(5)6)25-29(37)20(12-10-15(3)4)27(35)23(18(8)33)31(25)39/h9-10,16,21,34-39H,11-13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267240 (CHEMBL4104264) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C31H40O8/c1-14(2)9-11-19-26(34)22(17(7)32)30(38)24(28(19)36)21(13-16(5)6)25-29(37)20(12-10-15(3)4)27(35)23(18(8)33)31(25)39/h9-10,16,21,34-39H,11-13H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50267232 (CHEMBL1241050) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C13H16O4/c1-7(2)4-5-9-10(15)6-11(16)12(8(3)14)13(9)17/h4,6,15-17H,5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay 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...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50267242 (CHEMBL4096534) Show SMILES CC(C)CC(c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C)c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C Show InChI InChI=1S/C31H36O8/c1-12(2)9-17(24-26(34)18-10-20(13(3)4)38-30(18)22(15(7)32)28(24)36)25-27(35)19-11-21(14(5)6)39-31(19)23(16(8)33)29(25)37/h12,17,20-21,34-37H,3,5,9-11H2,1-2,4,6-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by su...				J Nat Prod 80: 699-706 (2017) Article DOI: 10.1021/acs.jnatprod.6b01008 BindingDB Entry DOI: 10.7270/Q2J38W29
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50448446 (Hydroxytyrosol) Show SMILES OCCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after ...				J Nat Prod 77: 441-5 (2014) Article DOI: 10.1021/np401010x BindingDB Entry DOI: 10.7270/Q28K7BKC
					More data for this Ligand-Target Pair