Compile Data Set for Download or QSAR

Found 59 hits of ic50 data for polymerid = 50002118   

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 ALOX15B (Rattus norvegicus)	BDBM50516347 (CHEMBL4531593) Show SMILES Cc1nc2cc(C)c(CN(C#C)c3ccc(C(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C27H25FN8O6/c1-4-35(12-16-10-19-22(9-14(16)2)29-15(3)30-26(19)40)17-5-6-18(20(28)11-17)25(39)31-21(27(41)42)7-8-23-32-33-34-36(23)13-24(37)38/h1,5-6,9-11,21H,7-8,12-13H2,2-3H3,(H,31,39)(H,37,38)(H,41,42)(H,29,30,40)/t21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (unknown origin)				Eur J Med Chem 178: 341-351 (2019) Article DOI: 10.1016/j.ejmech.2019.05.071 BindingDB Entry DOI: 10.7270/Q2BZ69DR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50570887 (CHEMBL4857252) Show SMILES CCOC(=O)C1CCC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of thymidylate synthase (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116136 BindingDB Entry DOI: 10.7270/Q2M330JJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50235696 (CHEMBL4060383) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc4ccccc4c3)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-14(23-19(17)25-20(22)24-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H5,21,22,23,24,25)	KEGG UniProtKB/SwissProt 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512138 (CHEMBL4550585) Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C18H13ClN6O4S/c19-11-5-7-12(8-6-11)25-10-15(22-24-25)13-3-1-2-4-14(13)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528941 (CHEMBL4470361) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cccc(c3)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)14(10-23-17)8-11-4-6-12(7-5-11)18(27)24-15-3-1-2-13(9-15)20(29)30/h1-7,9-10H,8H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50235700 (CHEMBL4096329) Show SMILES COc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1 Show InChI InChI=1S/C17H15N5OS/c1-23-9-5-7-10(8-6-9)24-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528943 (CHEMBL4562561) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528948 (CHEMBL4451239) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3CC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C23H19N5O6/c24-23-27-19-18(21(32)28-23)15(10-25-19)7-11-1-3-12(4-2-11)20(31)26-16-8-14(22(33)34)6-5-13(16)9-17(29)30/h1-6,8,10H,7,9H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011932 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy...) Show SMILES CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3/b9-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50027655 (CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Ra...) Show SMILES CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528946 (CHEMBL4459197) Show SMILES COCc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c1 Show InChI InChI=1S/C23H21N5O5/c1-33-11-13-4-7-16(22(31)32)17(9-13)26-20(29)14-5-2-12(3-6-14)8-15-10-25-19-18(15)21(30)28-23(24)27-19/h2-7,9-10H,8,11H2,1H3,(H,26,29)(H,31,32)(H4,24,25,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011934 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512145 (CHEMBL4546953) Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 Show InChI InChI=1S/C18H13ClN6O4S/c19-12-4-6-14(7-5-12)25-10-15(22-24-25)11-2-1-3-13(8-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528945 (CHEMBL4565065) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528940 (CHEMBL4544605) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)14(10-23-17)9-11-1-3-12(4-2-11)18(27)24-15-7-5-13(6-8-15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50235699 (CHEMBL4079829) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc(Cl)cc3)c21 Show InChI InChI=1S/C16H12ClN5S/c17-8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13-14(18)21-16(19)22-15(13)20-10/h1-7H,(H5,18,19,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011938 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512143 (CHEMBL4587877) Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 Show InChI InChI=1S/C18H13ClN6O4S/c19-12-4-2-6-14(8-12)25-10-15(22-24-25)11-3-1-5-13(7-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512137 (CHEMBL4457367) Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C18H13ClN6O4S/c19-11-4-3-5-12(8-11)25-10-15(22-24-25)13-6-1-2-7-14(13)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528958 (CHEMBL4476613) Show SMILES COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c1 Show InChI InChI=1S/C22H19N5O5/c1-32-14-6-7-15(21(30)31)16(9-14)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528951 (CHEMBL4458803) Show SMILES COc1ccc(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c(c1)C(O)=O Show InChI InChI=1S/C22H19N5O5/c1-32-14-6-7-16(15(9-14)21(30)31)25-19(28)12-4-2-11(3-5-12)8-13-10-24-18-17(13)20(29)27-22(23)26-18/h2-7,9-10H,8H2,1H3,(H,25,28)(H,30,31)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512136 (CHEMBL4460523) Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C18H13ClN6O4S/c19-12-3-7-14(8-4-12)25-10-15(22-24-25)11-1-5-13(6-2-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528947 (CHEMBL4445927) Show SMILES COc1ccc(CC(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c1 Show InChI InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512142 (CHEMBL4543727) Show SMILES Clc1ccccc1-n1cc(nn1)-c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C18H13ClN6O4S/c19-12-6-2-4-8-15(12)25-10-14(22-24-25)11-5-1-3-7-13(11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528950 (CHEMBL4454174) Show SMILES NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4nc(N)[nH]c(=O)c34)cc2)c1 Show InChI InChI=1S/C22H18N6O5/c23-17(29)12-5-6-14(21(32)33)15(8-12)26-19(30)11-3-1-10(2-4-11)7-13-9-25-18-16(13)20(31)28-22(24)27-18/h1-6,8-9H,7H2,(H2,23,29)(H,26,30)(H,32,33)(H4,24,25,27,28,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50235698 (CHEMBL4069070) Show SMILES COc1ccc(OC)c(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)c1 Show InChI InChI=1S/C18H17N5O2S/c1-24-9-6-7-11(25-2)13(8-9)26-12-5-3-4-10-14(12)15-16(19)22-18(20)23-17(15)21-10/h3-8H,1-2H3,(H5,19,20,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528955 (CHEMBL4445309) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccccc3-c3nnn[nH]3)c2c(=O)[nH]1 Show InChI InChI=1S/C21H17N9O2/c22-21-25-18-16(20(32)26-21)13(10-23-18)9-11-5-7-12(8-6-11)19(31)24-15-4-2-1-3-14(15)17-27-29-30-28-17/h1-8,10H,9H2,(H,24,31)(H,27,28,29,30)(H4,22,23,25,26,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512139 (CHEMBL4458595) Show SMILES Clc1ccccc1-n1cc(nn1)-c1cccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 Show InChI InChI=1S/C18H13ClN6O4S/c19-13-6-1-2-7-15(13)25-10-14(22-24-25)11-4-3-5-12(8-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528957 (CHEMBL4570994) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccccc3C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C21H16N6O2/c22-10-14-3-1-2-4-16(14)25-19(28)13-7-5-12(6-8-13)9-15-11-24-18-17(15)20(29)27-21(23)26-18/h1-8,11H,9H2,(H,25,28)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528949 (CHEMBL4536417) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccccc3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011930 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512146 (CHEMBL4459098) Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C18H13ClN6O4S/c19-12-2-1-3-14(8-12)25-10-15(22-24-25)11-4-6-13(7-5-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011935 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...) Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512140 (CHEMBL4591608) Show SMILES Clc1ccccc1-n1cc(nn1)-c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C18H13ClN6O4S/c19-13-3-1-2-4-15(13)25-10-14(22-24-25)11-5-7-12(8-6-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528939 (CHEMBL4447254) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccccc3CC(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H19N5O4/c23-22-26-19-18(21(31)27-22)15(11-24-19)9-12-5-7-13(8-6-12)20(30)25-16-4-2-1-3-14(16)10-17(28)29/h1-8,11H,9-10H2,(H,25,30)(H,28,29)(H4,23,24,26,27,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528934 (CHEMBL4570248) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)NCc3ccccc3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H19N5O4/c23-22-26-18-17(20(29)27-22)15(11-24-18)9-12-5-7-13(8-6-12)19(28)25-10-14-3-1-2-4-16(14)21(30)31/h1-8,11H,9-10H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512144 (CHEMBL4463368) Show SMILES Cc1cccc(c1)-n1cc(nn1)-c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C19H16N6O4S/c1-12-5-4-6-13(9-12)25-11-16(22-24-25)14-7-2-3-8-15(14)23-30(28,29)17-10-20-19(27)21-18(17)26/h2-11,23H,1H3,(H2,20,21,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50512141 (Alimta | CHEBI:63722 | LY-231514 DISODIUM SALT | L...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method				Eur J Med Chem 171: 282-296 (2019) Article DOI: 10.1016/j.ejmech.2019.03.047 BindingDB Entry DOI: 10.7270/Q2D79FQZ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528935 (CHEMBL4579109) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3CC(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50570889 (CHEMBL4876808) Show SMILES CC(C)c1ccc(C)cc1OCc1cn(nn1)-c1ccccc1C Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human thymidylate synthase expressed in Escherichia coli using 6R,S-tetrahydrofolate and dUMP as substrate by spectrophotometric analys...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116136 BindingDB Entry DOI: 10.7270/Q2M330JJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50235697 (CHEMBL4088617) Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method				Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50570888 (CHEMBL4876915) Show SMILES C(Sc1nnc(o1)-c1ccccc1)c1cn(nn1)-c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of thymidylate synthase (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116136 BindingDB Entry DOI: 10.7270/Q2M330JJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528953 (CHEMBL4437270) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(CO)ccc3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H19N5O5/c23-22-26-18-17(20(30)27-22)14(9-24-18)7-11-1-4-13(5-2-11)19(29)25-16-8-12(10-28)3-6-15(16)21(31)32/h1-6,8-9,28H,7,10H2,(H,25,29)(H,31,32)(H4,23,24,26,27,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528944 (CHEMBL4591345) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(Cl)ccc3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011931 ((2E)‐3‐phenylprop‐2‐enR...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528959 (CHEMBL4465849) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3ccccc3CCC(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011933 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50528942 (CHEMBL4442032) Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)NC3CCCCC3C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H23N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h5-8,10,14-15H,1-4,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111673 BindingDB Entry DOI: 10.7270/Q29Z98B8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Rattus norvegicus)	BDBM50011936 (2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-py...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O Show InChI InChI=1S/C18H16N2O4/c19-11-15(9-14-5-6-16(21)17(22)10-14)18(23)24-8-2-4-13-3-1-7-20-12-13/h1,3,5-7,9-10,12,21-22H,2,4,8H2/b15-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes				J Med Chem 34: 1503-5 (1991) BindingDB Entry DOI: 10.7270/Q22Z14G6
					More data for this Ligand-Target Pair

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