Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'mascayano' and Initial = 'c'   

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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Chile Curated by ChEMBL					Assay Description Inhibition of thapsigargin-stimulated 15-LOX in human primary polymorphonuclear leukocytes using arachidonic acid as substrate preincubated for 5 min...				Bioorg Med Chem Lett 27: 1649-1653 (2017) Article DOI: 10.1016/j.bmcl.2017.03.017 BindingDB Entry DOI: 10.7270/Q22Z17TX
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106788 (3‐(3‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106787 (3‐(4‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50222297 (7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...) Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153379 (HIR-3) Show SMILES Cc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50222284 (7,8-dihydroxy-3'-methylisoflavone | CHEMBL238843 |...) Show SMILES Cc1cccc(c1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C16H12O4/c1-9-3-2-4-10(7-9)12-8-20-16-11(14(12)18)5-6-13(17)15(16)19/h2-8,17,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50139862 (3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...) Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153383 (HIR-301) Show SMILES Oc1ccc(cc1)C1COc2c(O)c(O)ccc2C1 Show InChI InChI=1S/C15H14O4/c16-12-4-1-9(2-5-12)11-7-10-3-6-13(17)14(18)15(10)19-8-11/h1-6,11,16-18H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153375 (IR-3) Show SMILES Cc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Chile Curated by ChEMBL					Assay Description Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assay				Bioorg Med Chem Lett 27: 1649-1653 (2017) Article DOI: 10.1016/j.bmcl.2017.03.017 BindingDB Entry DOI: 10.7270/Q22Z17TX
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153377 (IR-10) Show SMILES Oc1cc2occ(-c3cccc(F)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9FO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153380 (HIR-9) Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(5-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153381 (HIR-11) Show SMILES COc1ccc(cc1OC)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C17H18O5/c1-20-14-6-4-10(8-15(14)21-2)12-7-11-3-5-13(18)16(19)17(11)22-9-12/h3-6,8,12,18-19H,7,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50209568 (4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...) Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50237598 (CHEMBL395428 | US11660306, Example Boswellic acid) Show SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C |t:16| Show InChI InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universidad de Chile Curated by ChEMBL					Assay Description Inhibition of 15-LOX (unknown origin)				Bioorg Med Chem Lett 27: 1649-1653 (2017) Article DOI: 10.1016/j.bmcl.2017.03.017 BindingDB Entry DOI: 10.7270/Q22Z17TX
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50222287 (6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...) Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O Show InChI InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106778 (7‐hydroxy‐8‐methyl‐3‐...) Show SMILES Cc1ccc(cc1)-c1coc2c(C)c(O)ccc2c1=O Show InChI InChI=1S/C17H14O3/c1-10-3-5-12(6-4-10)14-9-20-17-11(2)15(18)8-7-13(17)16(14)19/h3-9,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Universidad de Santiago					Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM106787 (3‐(4‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106782 (7‐hydroxy‐3‐(4‐nitrophenyl...) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O Show InChI InChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM106788 (3‐(3‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106788 (3‐(3‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153382 (HIR-205) Show SMILES Cc1c(O)ccc2CC(COc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClO2/c1-10-15(18)7-4-12-8-13(9-19-16(10)12)11-2-5-14(17)6-3-11/h2-7,13,18H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106787 (3‐(4‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Universidad de Santiago					Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM153380 (HIR-9) Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(5-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106777 (7‐hydroxy‐3‐(4‐hydroxyphen...) Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C16H12O4/c1-9-14(18)7-6-12-15(19)13(8-20-16(9)12)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	8.0	n/a
Universidad de Santiago					Assay Description Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM106786 (3‐(4‐chlorophenyl)‐7‐hydro...) Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C16H11ClO3/c1-9-14(18)7-6-12-15(19)13(8-20-16(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106776 (3‐(3‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106775 (6,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM106774 (3‐(4‐chlorophenyl)‐6,7‐dih...) Show SMILES Oc1cc2occ(-c3ccc(Cl)cc3)c(=O)c2cc1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106788 (3‐(3‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106788 (3‐(3‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106787 (3‐(4‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM106787 (3‐(4‐methylphenyl)‐3,4‐dih...) Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106786 (3‐(4‐chlorophenyl)‐7‐hydro...) Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C16H11ClO3/c1-9-14(18)7-6-12-15(19)13(8-20-16(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM106784 (5,7‐dihydroxy‐3‐(4‐nitroph...) Show SMILES Oc1cc(O)c2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O Show InChI InChI=1S/C15H9NO6/c17-10-5-12(18)14-13(6-10)22-7-11(15(14)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM153376 (IR-4) Show SMILES Oc1cc2occ(-c3ccccc3)c(=O)c2cc1O Show InChI InChI=1S/C15H10O4/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,16-17H	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	>4.00E+4	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair

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