Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'yum' and Initial = 'ek'   

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 5-lipoxygenase (Homo sapiens (Human))	BDBM91658 (N-aryl-4-aryl-1,3-thiazole-2-amine, 6) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(cc2)N(=O)=O)cc1 Show InChI InChI=1S/C15H11N3O3S/c19-13-7-3-11(4-8-13)16-15-17-14(9-22-15)10-1-5-12(6-2-10)18(20)21/h1-9,19H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91673 (N-aryl-4-aryl-1,3-thiazole-2-amine, 31) Show SMILES Nc1ccc(Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C15H11Cl2N3S/c16-9-1-6-13(17)12(7-9)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,18H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91665 (N-aryl-4-aryl-1,3-thiazole-2-amine, 15) Show SMILES Cc1cc(Nc2nc(cs2)-c2ccc(F)cc2)cc(Cl)c1O Show InChI InChI=1S/C16H12ClFN2OS/c1-9-6-12(7-13(17)15(9)21)19-16-20-14(8-22-16)10-2-4-11(18)5-3-10/h2-8,21H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91659 (N-aryl-4-aryl-1,3-thiazole-2-amine, 8) Show SMILES Oc1ccc(Nc2nc(cs2)-c2cccc(F)c2)cc1 Show InChI InChI=1S/C15H11FN2OS/c16-11-3-1-2-10(8-11)14-9-20-15(18-14)17-12-4-6-13(19)7-5-12/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91674 (N-aryl-4-aryl-1,3-thiazole-2-amine, 32) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C15H11F2N3S/c16-9-1-6-12(13(17)7-9)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,18H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50312876 (4-(4-(2-fluorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2F)cc1 Show InChI InChI=1S/C15H11FN2OS/c16-13-4-2-1-3-12(13)14-9-20-15(18-14)17-10-5-7-11(19)8-6-10/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91657 (N-aryl-4-aryl-1,3-thiazole-2-amine, 4) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H11BrN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91662 (N-aryl-4-aryl-1,3-thiazole-2-amine, 12) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C15H10F2N2OS/c16-9-1-6-12(13(17)7-9)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91671 (N-aryl-4-aryl-1,3-thiazole-2-amine, 28) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(cc2)N(=O)=O)cc1 Show InChI InChI=1S/C15H12N4O2S/c16-11-3-5-12(6-4-11)17-15-18-14(9-22-15)10-1-7-13(8-2-10)19(20)21/h1-9H,16H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91661 (N-aryl-4-aryl-1,3-thiazole-2-amine, 11) Show SMILES Oc1ccc(Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C15H10Cl2N2OS/c16-9-1-6-13(17)12(7-9)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91666 (N-aryl-4-aryl-1,3-thiazole-2-amine, 16) Show SMILES Oc1c(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C15H9Cl2FN2OS/c16-11-5-10(6-12(17)14(11)21)19-15-20-13(7-22-15)8-1-3-9(18)4-2-8/h1-7,21H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91656 (N-aryl-4-aryl-1,3-thiazole-2-amine, 3) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H11FN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91667 (N-aryl-4-aryl-1,3-thiazole-2-amine, 17) Show SMILES Cc1cc(Nc2nc(cs2)-c2ccc(F)cc2)c(C)cc1O Show InChI InChI=1S/C17H15FN2OS/c1-10-8-16(21)11(2)7-14(10)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91669 (N-aryl-4-aryl-1,3-thiazole-2-amine, 25) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H12FN3S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50293576 (4-(4-phenylthiazol-2-ylamino)phenol | 4131JH0380 |...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91668 (N-aryl-4-aryl-1,3-thiazole-2-amine, 24) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C15H13N3S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91664 (N-aryl-4-aryl-1,3-thiazole-2-amine, 14) Show SMILES Cc1cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc(C)c1O Show InChI InChI=1S/C17H15ClN2OS/c1-10-7-14(8-11(2)16(10)21)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91660 (N-aryl-4-aryl-1,3-thiazole-2-amine, 9) Show SMILES Oc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91663 (N-aryl-4-aryl-1,3-thiazole-2-amine, 13) Show SMILES Oc1c(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C15H9Cl3N2OS/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)19-10-5-11(17)14(21)12(18)6-10/h1-7,21H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50312870 (CHEMBL1080890 | N-aryl-4-aryl-1,3-thiazole-2-amine...) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H12ClN3S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91670 (N-aryl-4-aryl-1,3-thiazole-2-amine, 26) Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12BrN3S/c16-11-3-1-10(2-4-11)14-9-20-15(19-14)18-13-7-5-12(17)6-8-13/h1-9H,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM91672 (N-aryl-4-aryl-1,3-thiazole-2-amine, 29) Show SMILES Nc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3S/c16-11-7-5-10(6-8-11)14-9-20-15(19-14)18-13-4-2-1-3-12(13)17/h1-9H,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	7.4	25
Korea Research Institute of Chemical Technology					Assay Description 5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation...				Chem Biol Drug Des 80: 89-98 (2012) Article DOI: 10.1111/j.1747-0285.2012.01371.x BindingDB Entry DOI: 10.7270/Q21G0JW1
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081762 (Acetic acid 4-(6-methoxy-3-methyl-pyrrolo[3,2-c]qu...) Show SMILES COc1cccc2c3n(cc(C)c3cnc12)-c1ccc(OC(C)=O)cc1C Show InChI InChI=1S/C22H20N2O3/c1-13-10-16(27-15(3)25)8-9-19(13)24-12-14(2)18-11-23-21-17(22(18)24)6-5-7-20(21)26-4/h5-12H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081755 (4-(3-Ethyl-6-methoxy-pyrrolo[3,2-c]quinolin-1-yl)-...) Show SMILES CCc1cn(-c2ccc(O)cc2C)c2c1cnc1c(OC)cccc21 Show InChI InChI=1S/C21H20N2O2/c1-4-14-12-23(18-9-8-15(24)10-13(18)2)21-16-6-5-7-19(25-3)20(16)22-11-17(14)21/h5-12,24H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081767 (3-Methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-6-ol ...) Show SMILES Cc1cn(-c2ccccc2C)c2c1cnc1c(O)cccc21 Show InChI InChI=1S/C19H16N2O/c1-12-6-3-4-8-16(12)21-11-13(2)15-10-20-18-14(19(15)21)7-5-9-17(18)22/h3-11,22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081766 (3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-...) Show SMILES CCc1cn(-c2ccc(F)cc2C)c2c1cnc1c(OC)cccc21 Show InChI InChI=1S/C21H19FN2O/c1-4-14-12-24(18-9-8-15(22)10-13(18)2)21-16-6-5-7-19(25-3)20(16)23-11-17(14)21/h5-12H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081761 (4-(3-Isopropyl-6-methoxy-pyrrolo[3,2-c]quinolin-1-...) Show SMILES COc1cccc2c3n(cc(C(C)C)c3cnc12)-c1ccc(O)cc1C Show InChI InChI=1S/C22H22N2O2/c1-13(2)18-12-24(19-9-8-15(25)10-14(19)3)22-16-6-5-7-20(26-4)21(16)23-11-17(18)22/h5-13,25H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081763 (6-Methoxy-3-methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quin...) Show SMILES COc1cccc2c3n(cc(C)c3cnc12)-c1ccccc1C Show InChI InChI=1S/C20H18N2O/c1-13-7-4-5-9-17(13)22-12-14(2)16-11-21-19-15(20(16)22)8-6-10-18(19)23-3/h4-12H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081765 (1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3-methyl-1H...) Show SMILES COc1cccc2c3n(cc(C)c3cnc12)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN2O/c1-12-9-14(21)7-8-17(12)23-11-13(2)16-10-22-19-15(20(16)23)5-4-6-18(19)24-3/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081768 (3-Isopropyl-6-methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]q...) Show SMILES COc1cccc2c3n(cc(C(C)C)c3cnc12)-c1ccccc1C Show InChI InChI=1S/C22H22N2O/c1-14(2)18-13-24(19-10-6-5-8-15(19)3)22-16-9-7-11-20(25-4)21(16)23-12-17(18)22/h5-14H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50001254 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-butan-1...) Show SMILES CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50241343 ((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...) Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081754 (1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3,4-dimethy...) Show SMILES COc1cccc2c3n(cc(C)c3c(C)nc12)-c1ccc(F)cc1C Show InChI InChI=1S/C21H19FN2O/c1-12-10-15(22)8-9-17(12)24-11-13(2)19-14(3)23-20-16(21(19)24)6-5-7-18(20)25-4/h5-11H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081756 (2-(6-Methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-3...) Show SMILES COc1cccc2c3n(cc(CCO)c3cnc12)-c1ccccc1C Show InChI InChI=1S/C21H20N2O2/c1-14-6-3-4-8-18(14)23-13-15(10-11-24)17-12-22-20-16(21(17)23)7-5-9-19(20)25-2/h3-9,12-13,24H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081759 (6-Methoxy-3,4-dimethyl-1-o-tolyl-1H-pyrrolo[3,2-c]...) Show SMILES COc1cccc2c3n(cc(C)c3c(C)nc12)-c1ccccc1C Show InChI InChI=1S/C21H20N2O/c1-13-8-5-6-10-17(13)23-12-14(2)19-15(3)22-20-16(21(19)23)9-7-11-18(20)24-4/h5-12H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081757 (CHEMBL97334 | [1-(4-Fluoro-2-methyl-phenyl)-6-meth...) Show SMILES COc1cccc2c3n(cc(CO)c3cnc12)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN2O2/c1-12-8-14(21)6-7-17(12)23-10-13(11-24)16-9-22-19-15(20(16)23)4-3-5-18(19)25-2/h3-10,24H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081764 (2-[1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrro...) Show SMILES COc1cccc2c3n(cc(CCO)c3cnc12)-c1ccc(F)cc1C Show InChI InChI=1S/C21H19FN2O2/c1-13-10-15(22)6-7-18(13)24-12-14(8-9-25)17-11-23-20-16(21(17)24)4-3-5-19(20)26-2/h3-7,10-12,25H,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081760 (3-Methyl-1-o-tolyl-6-trifluoromethoxy-1H-pyrrolo[3...) Show SMILES Cc1cn(-c2ccccc2C)c2c1cnc1c(OC(F)(F)F)cccc21 Show InChI InChI=1S/C20H15F3N2O/c1-12-6-3-4-8-16(12)25-11-13(2)15-10-24-18-14(19(15)25)7-5-9-17(18)26-20(21,22)23/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50081758 ((6-Methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-3-y...) Show SMILES COc1cccc2c3n(cc(CO)c3cnc12)-c1ccccc1C Show InChI InChI=1S/C20H18N2O2/c1-13-6-3-4-8-17(13)22-11-14(12-23)16-10-21-19-15(20(16)22)7-5-9-18(19)24-2/h3-11,23H,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair