Compile Data Set for Download or QSAR

Found 29 hits of ic50 for UniProtKB: P39655   

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
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50447175 (CHEMBL3113165 | US10752581, Compound 35) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 12-LOX in mouse BTC3 cells assessed as inhibition of arachidonic acid/calcium ionophore-induced 12-HETE production after 4 hrs by ELISA				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052450 (1,8-Dihydroxy-10-(2-methoxy-phenylsulfanyl)-10H-an...) Show SMILES COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C21H16O4S/c1-25-16-10-2-3-11-17(16)26-21-12-6-4-8-14(22)18(12)20(24)19-13(21)7-5-9-15(19)23/h2-11,21-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052464 (1,8-Dihydroxy-10-(4-hydroxy-phenylsulfanyl)-10H-an...) Show SMILES Oc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1 Show InChI InChI=1S/C20H14O4S/c21-11-7-9-12(10-8-11)25-20-13-3-1-5-15(22)17(13)19(24)18-14(20)4-2-6-16(18)23/h1-10,20-23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052462 (10-(2-Amino-phenylsulfanyl)-1,8-dihydroxy-10H-anth...) Show SMILES Nc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C20H15NO3S/c21-13-7-1-2-10-16(13)25-20-11-5-3-8-14(22)17(11)19(24)18-12(20)6-4-9-15(18)23/h1-10,20,22-23H,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50350396 (CHEMBL1573436) Show SMILES CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O Show InChI InChI=1S/C16H13BrN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse N-terminally His6-tagged 12-lipoxygenase expressed in SF9 insect cells assessed as 12-HPETE formation using arachidonic acid by U...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052454 (2-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...) Show SMILES CC(SC1c2cccc(O)c2C(=O)c2c(O)cccc12)C(O)=O Show InChI InChI=1S/C17H14O5S/c1-8(17(21)22)23-16-9-4-2-6-11(18)13(9)15(20)14-10(16)5-3-7-12(14)19/h2-8,16,18-19H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052458 (3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...) Show SMILES COC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C18H16O5S/c1-23-14(21)8-9-24-18-10-4-2-6-12(19)15(10)17(22)16-11(18)5-3-7-13(16)20/h2-7,18-20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052466 (3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...) Show SMILES OC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H14O5S/c18-11-5-1-3-9-14(11)16(22)15-10(4-2-6-12(15)19)17(9)23-8-7-13(20)21/h1-6,17-19H,7-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052469 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES COC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H14O5S/c1-22-13(20)8-23-17-9-4-2-6-11(18)14(9)16(21)15-10(17)5-3-7-12(15)19/h2-7,17-19H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052456 (1,8-Dihydroxy-10-(2-hydroxy-phenylsulfanyl)-10H-an...) Show SMILES Oc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C20H14O4S/c21-13-7-1-2-10-16(13)25-20-11-5-3-8-14(22)17(11)19(24)18-12(20)6-4-9-15(18)23/h1-10,20-23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052451 (10-Ethylsulfanyl-1,8-dihydroxy-10H-anthracen-9-one...) Show SMILES CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C16H14O3S/c1-2-20-16-9-5-3-7-11(17)13(9)15(19)14-10(16)6-4-8-12(14)18/h3-8,16-18H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052472 (3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...) Show SMILES CCOC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C19H18O5S/c1-2-24-15(22)9-10-25-19-11-5-3-7-13(20)16(11)18(23)17-12(19)6-4-8-14(17)21/h3-8,19-21H,2,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052468 (2-Amino-3-(4,5-dihydroxy-10-oxo-9,10-dihydro-anthr...) Show SMILES NC(CSC1c2cccc(O)c2C(=O)c2c(O)cccc12)C(O)=O Show InChI InChI=1S/C17H15NO5S/c18-10(17(22)23)7-24-16-8-3-1-5-11(19)13(8)15(21)14-9(16)4-2-6-12(14)20/h1-6,10,16,19-20H,7,18H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052459 (10-(4-Amino-phenylsulfanyl)-1,8-dihydroxy-10H-anth...) Show SMILES Nc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1 Show InChI InChI=1S/C20H15NO3S/c21-11-7-9-12(10-8-11)25-20-13-3-1-5-15(22)17(13)19(24)18-14(20)4-2-6-16(18)23/h1-10,20,22-23H,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052461 (1,8-Dihydroxy-10-(3-mercapto-propylsulfanyl)-10H-a...) Show SMILES Oc1cccc2C(SCCCS)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C17H16O3S2/c18-12-6-1-4-10-14(12)16(20)15-11(5-2-7-13(15)19)17(10)22-9-3-8-21/h1-2,4-7,17-19,21H,3,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052473 (1,8-Dihydroxy-10-(3-methoxy-phenylsulfanyl)-10H-an...) Show SMILES COc1cccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)c1 Show InChI InChI=1S/C21H16O4S/c1-25-12-5-2-6-13(11-12)26-21-14-7-3-9-16(22)18(14)20(24)19-15(21)8-4-10-17(19)23/h2-11,21-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052474 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES OC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C16H12O5S/c17-10-5-1-3-8-13(10)15(21)14-9(4-2-6-11(14)18)16(8)22-7-12(19)20/h1-6,16-18H,7H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052457 (1,8-Dihydroxy-10-(2-hydroxy-ethylsulfanyl)-10H-ant...) Show SMILES OCCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C16H14O4S/c17-7-8-21-16-9-3-1-5-11(18)13(9)15(20)14-10(16)4-2-6-12(14)19/h1-6,16-19H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052470 (1,8-Dihydroxy-10-(4-methoxy-phenylsulfanyl)-10H-an...) Show SMILES COc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1 Show InChI InChI=1S/C21H16O4S/c1-25-12-8-10-13(11-9-12)26-21-14-4-2-6-16(22)18(14)20(24)19-15(21)5-3-7-17(19)23/h2-11,21-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052471 (10-(2,3-Dihydroxy-propylsulfanyl)-1,8-dihydroxy-10...) Show SMILES OCC(O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H16O5S/c18-7-9(19)8-23-17-10-3-1-5-12(20)14(10)16(22)15-11(17)4-2-6-13(15)21/h1-6,9,17-21H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052475 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES CCCCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C20H20O5S/c1-2-3-10-25-16(23)11-26-20-12-6-4-8-14(21)17(12)19(24)18-13(20)7-5-9-15(18)22/h4-9,20-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052467 (3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...) Show SMILES CCCCOC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C21H22O5S/c1-2-3-11-26-17(24)10-12-27-21-13-6-4-8-15(22)18(13)20(25)19-14(21)7-5-9-16(19)23/h4-9,21-23H,2-3,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052465 (1,8-Dihydroxy-10-(4-methoxy-benzylsulfanyl)-10H-an...) Show SMILES COc1ccc(CSC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1 Show InChI InChI=1S/C22H18O4S/c1-26-14-10-8-13(9-11-14)12-27-22-15-4-2-6-17(23)19(15)21(25)20-16(22)5-3-7-18(20)24/h2-11,22-24H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052463 (1,8-Dihydroxy-10-propylsulfanyl-10H-anthracen-9-on...) Show SMILES CCCSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H16O3S/c1-2-9-21-17-10-5-3-7-12(18)14(10)16(20)15-11(17)6-4-8-13(15)19/h3-8,17-19H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052460 (1,8-Dihydroxy-10-phenylsulfanyl-10H-anthracen-9-on...) Show SMILES Oc1cccc2C(Sc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C20H14O3S/c21-15-10-4-8-13-17(15)19(23)18-14(9-5-11-16(18)22)20(13)24-12-6-2-1-3-7-12/h1-11,20-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052452 (1,8-Dihydroxy-10-(3-phenyl-propylsulfanyl)-10H-ant...) Show SMILES Oc1cccc2C(SCCCc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C23H20O3S/c24-18-12-4-10-16-20(18)22(26)21-17(11-5-13-19(21)25)23(16)27-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13,23-25H,6,9,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052455 (1,8-Dihydroxy-10-phenethylsulfanyl-10H-anthracen-9...) Show SMILES Oc1cccc2C(SCCc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H18O3S/c23-17-10-4-8-15-19(17)21(25)20-16(9-5-11-18(20)24)22(15)26-13-12-14-6-2-1-3-7-14/h1-11,22-24H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052449 (10-Benzylsulfanyl-1,8-dihydroxy-10H-anthracen-9-on...) Show SMILES Oc1cccc2C(SCc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C21H16O3S/c22-16-10-4-8-14-18(16)20(24)19-15(9-5-11-17(19)23)21(14)25-12-13-6-2-1-3-7-13/h1-11,21-23H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Mus musculus)	BDBM50052453 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES CCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C18H16O5S/c1-2-23-14(21)9-24-18-10-5-3-7-12(19)15(10)17(22)16-11(18)6-4-8-13(16)20/h3-8,18-20H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair