Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'jung' and Initial = 'je'   

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))	BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM56150 ((6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyr...) Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C Show InChI InChI=1S/C17H16N2O/c1-11-7-8-17(20)14(9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by Dixon plot analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609365 (CHEMBL5282123) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CNS(N)(=O)=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15 (Oryctolagus cuniculus (rabbit))	BDBM22302 (N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rabbit reticulocyte 12/15-lipoxygenase				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609356 (CHEMBL5278177) Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1ccc(CNS(N)(=O)=O)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609368 (CHEMBL5287511) Show SMILES Cl.CN1Cc2c(NCc3ccc(NS(N)(=O)=O)cc3)ncnc2NC1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609362 (CHEMBL5282991) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CNS(N)(=O)=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM30770 (2-(1-naphthalenyl)-5-(propylamino)-4-oxazolecarbon...) Show SMILES CCCNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C17H15N3O/c1-2-10-19-17-15(11-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,19H,2,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of human reticulocyte 12/15-lipoxygenase using arachidonic acid/linoleic acid as substrate by fluorescence assay				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM44681 (5-(ethylamino)-2-(1-naphthalenyl)-4-oxazolecarboni...) Show SMILES CCNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011748 (CHEMBL3262919) Show SMILES CCCCNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C18H17N3O/c1-2-3-11-20-18-16(12-19)21-17(22-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,20H,2-3,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609367 (CHEMBL5279977) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC2(CCN(C2)S(N)(=O)=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609359 (CHEMBL5280052) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1cccc(CNS(N)(=O)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM79800 (5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...) Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609366 (CHEMBL5287838) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CC1)NS(N)(=O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011749 (CHEMBL3262920) Show SMILES CCCCCNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C19H19N3O/c1-2-3-6-12-21-19-17(13-20)22-18(23-19)16-11-7-9-14-8-4-5-10-15(14)16/h4-5,7-11,21H,2-3,6,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609355 (CHEMBL5276377) Show SMILES Cl.CN1Cc2c(nccc2-c2ccc(CNS(N)(=O)=O)cc2)N(C)C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609360 (CHEMBL5272310) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1cccc(NS(N)(=O)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609352 (CHEMBL5290907) Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1ccc(CNS(N)(=O)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609357 (CHEMBL5285218) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1ccc(CNS(N)(=O)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	452	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011735 (CHEMBL3262908) Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-8(5-14)16-10(17-11)6-3-2-4-7(12)9(6)13/h2-4,15H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609351 (CHEMBL5275034) Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1cccc(CNS(N)(=O)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011783 (CHEMBL3262925) Show SMILES CNc1sc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C15H11N3S/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609364 (CHEMBL5286609) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CCNS(N)(=O)=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	669	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011733 (CHEMBL3262906) Show SMILES CNc1oc(nc1C#N)-c1ccc2cnccc2c1 Show InChI InChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)10-2-3-11-8-17-5-4-9(11)6-10/h2-6,8,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609363 (CHEMBL5289139) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CC1)NS(N)(=O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609350 (CHEMBL5278671) Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1cccc(NS(N)(=O)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	766	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609361 (CHEMBL5279855) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CCNS(N)(=O)=O)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011736 (CHEMBL3262909) Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50208823 (6,11-dihydrothiochromeno[4,3-b]indole | CHEMBL1809...) Show SMILES C1Sc2ccccc2-c2[nH]c3ccccc3c12 Show InChI InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human 12/15-LOX expressed in HEK293 cells after 30 mins by microplate reader analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609358 (CHEMBL5274733) Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1ccc(CNS(N)(=O)=O)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	916	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609353 (CHEMBL5265786) Show SMILES Cl.CN(Cc1ccc(cc1)-c1ccnc2NC(=O)N(C)Cc12)S(N)(=O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011769 (CHEMBL1588672) Show SMILES C=CCNc1oc(nc1C#N)-c1cccc2ccccc12 Show InChI InChI=1S/C17H13N3O/c1-2-10-19-17-15(11-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h2-9,19H,1,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM56150 ((6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyr...) Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C Show InChI InChI=1S/C17H16N2O/c1-11-7-8-17(20)14(9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011732 (CHEMBL3262905) Show SMILES CNc1oc(nc1C#N)-c1cccc2ncccc12 Show InChI InChI=1S/C14H10N4O/c1-16-14-12(8-15)18-13(19-14)10-4-2-6-11-9(10)5-3-7-17-11/h2-7,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011742 (CHEMBL3262915) Show SMILES CNc1oc(nc1C#N)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H10N4O/c1-15-13-11(6-14)17-12(18-13)9-7-16-10-5-3-2-4-8(9)10/h2-5,7,15-16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM49247 ((6Z)-6-[5-(2-chlorophenyl)-1,2-dihydropyrazol-3-yl...) Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccccc1Cl Show InChI InChI=1S/C15H11ClN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011786 (CHEMBL3262927) Show SMILES CNc1nnc(o1)-c1cccc2ccccc12 Show InChI InChI=1S/C13H11N3O/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50148015 (CHEMBL1540577) Show SMILES COc1ccc(cc1)-c1cc([nH]n1)-c1cc(OC)ccc1O Show InChI InChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-16(19-18-15)14-9-13(22-2)7-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011744 (CHEMBL3262916) Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-3-2-4-8(12)5-7/h2-5,14H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50187067 (2-(5-(2-chlorophenyl)-1H-pyrazol-3-yl)-4-methoxyph...) Show SMILES COc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C16H13ClN2O2/c1-21-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM57040 ((6E)-6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-yli...) Show SMILES COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1 Show InChI InChI=1S/C16H13BrN2O2/c1-21-12-5-6-16(20)13(8-12)15-9-14(18-19-15)10-3-2-4-11(17)7-10/h2-9,20H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50148017 (CHEMBL1353771) Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccco1 Show InChI InChI=1S/C13H10N2O2/c16-12-5-2-1-4-9(12)10-8-11(15-14-10)13-6-3-7-17-13/h1-8,16H,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50148019 (CHEMBL1604272) Show SMILES Cc1ccccc1-c1cc([nH]n1)-c1ccccc1O Show InChI InChI=1S/C16H14N2O/c1-11-6-2-3-7-12(11)14-10-15(18-17-14)13-8-4-5-9-16(13)19/h2-10,19H,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50609354 (CHEMBL5270128) Show SMILES Cl.NS(=O)(=O)Nc1cccc(c1)-c1ccnc2NC(=O)N(Cc12)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	7.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50011738 (CHEMBL3262911) Show SMILES CNc1oc(nc1C#N)-c1ccc2OCOc2c1 Show InChI InChI=1S/C12H9N3O3/c1-14-12-8(5-13)15-11(18-12)7-2-3-9-10(4-7)17-6-16-9/h2-4,14H,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...				J Med Chem 57: 4035-48 (2014) Article DOI: 10.1021/jm401915r BindingDB Entry DOI: 10.7270/Q26T0P58
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50148023 (CHEMBL1448722) Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1 Show InChI InChI=1S/C16H13BrN2O/c1-10-5-6-16(20)13(7-10)15-9-14(18-19-15)11-3-2-4-12(17)8-11/h2-9,20H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM78048 ((6E)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-yl...) Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(F)c1 Show InChI InChI=1S/C16H13FN2O/c1-10-5-6-16(20)13(7-10)15-9-14(18-19-15)11-3-2-4-12(17)8-11/h2-9,20H,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) Article DOI: 10.1016/j.bmc.2016.01.042 BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair

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