Compile Data Set for Download or QSAR

Found 74 hits of Enz. Inhib. data with enzyme = '5-lipoxygenase/FLAP' and Substrate = 'BDBM22319'   

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
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31134 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11m) Show SMILES CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-8-3-4-9-17(16)22(18)25-19(21)11-10-14-6-5-7-15(24)12-14/h3-9,12-13,25-26H,2,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	490	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31132 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k) Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	520	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31135 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11n) Show SMILES CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-5-3-4-6-17(16)22(18)25-19(21)12-9-14-7-10-15(24)11-8-14/h3-8,10-11,13,25-26H,2,9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	2.80E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31133 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11l) Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-5-3-4-6-15(14)20(16)23-19(18)12-7-9-13(22)10-8-12/h3-11,23-24H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	320	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31124 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11c) Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	1.20E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31122 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11a) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3	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	86	n/a	230	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31128 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11g) Show SMILES CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18BrNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	600	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31126 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11e) Show SMILES CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18FNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	500	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31123 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11b) Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-16-12-19(25)14-8-4-5-9-15(14)21(16)24-18(20)11-13-7-3-6-10-17(13)23/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	1.20E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31138 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11q) Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3cccc(Cl)c3)[nH]c2c2ccccc12 Show InChI InChI=1S/C27H20ClNO3/c28-19-10-6-9-18(13-19)14-23-25(27(31)32-16-17-7-2-1-3-8-17)22-15-24(30)20-11-4-5-12-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	350	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31129 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11h) Show SMILES CCOC(=O)c1c(Cc2cccc(OC)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-9-4-5-10-17(16)22(18)24-19(21)12-14-7-6-8-15(11-14)27-2/h4-11,13,24-25H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	520	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31136 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11o) Show SMILES CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C24H23NO3/c1-2-28-24(27)22-19-15-21(26)17-12-6-7-13-18(17)23(19)25-20(22)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15,25-26H,2,8,11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	440	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31125 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11d) Show SMILES CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18FNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	340	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31127 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11f) Show SMILES CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18BrNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	450	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31130 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11i) Show SMILES CCOC(=O)c1c(Cc2ccc(OC)cc2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-6-4-5-7-17(16)22(18)24-19(21)12-14-8-10-15(27-2)11-9-14/h4-11,13,24-25H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	650	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31139 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11r) Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c2ccccc12 Show InChI InChI=1S/C27H20ClNO3/c28-19-12-10-17(11-13-19)14-23-25(27(31)32-16-18-6-2-1-3-7-18)22-15-24(30)20-8-4-5-9-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	480	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	37
Eberhard-Karls-University Tuebingen					Assay Description For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...				J Med Chem 51: 5449-53 (2008) Article DOI: 10.1021/jm800588x BindingDB Entry DOI: 10.7270/Q2SN077B
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31121 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 14) Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C21H17ClN2O3/c1-2-27-21(26)18-16-11-17(25)14-8-3-4-9-15(14)19(16)24-20(18)23-13-7-5-6-12(22)10-13/h3-11,23-25H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	710	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31131 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11j) Show SMILES CCOC(=O)c1c(Cc2ccc(cc2)C(F)(F)F)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C23H18F3NO3/c1-2-30-22(29)20-17-12-19(28)15-5-3-4-6-16(15)21(17)27-18(20)11-13-7-9-14(10-8-13)23(24,25)26/h3-10,12,27-28H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	1.70E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22332 (2-amino-5-hydroxyindole, 3n | ethyl 2-[(3-chloroph...) Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31103 (5-hydroxy-1H-indole-3-carboxylate, 37) Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C16H13ClN2O3/c1-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-2-3-9(17)7-10/h2-8,18-20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	2.40E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31143 (5-hydroxy-1H-indole-3-carboxylate, 22) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H24ClNO3/c1-2-35-30(34)29-25-18-28(33)24(22-13-11-21(12-14-22)20-8-4-3-5-9-20)17-26(25)32-27(29)16-19-7-6-10-23(31)15-19/h3-15,17-18,32-33H,2,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	2.80E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31141 (1H-pyrrolo[2,3-f]quinoline-3-carboxylate, 20) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ncccc21 Show InChI InChI=1S/C21H17ClN2O3/c1-2-27-21(26)18-15-11-17(25)20-14(7-4-8-23-20)19(15)24-16(18)10-12-5-3-6-13(22)9-12/h3-9,11,24-25H,2,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	4.30E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31137 (5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11p) Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C29H24ClNO3/c1-2-34-29(33)27-24-17-26(32)22-10-6-7-11-23(22)28(24)31(18-20-8-4-3-5-9-20)25(27)16-19-12-14-21(30)15-13-19/h3-15,17,32H,2,16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	1.80E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31119 (5-hydroxy-1H-indole-3-carboxylate, 10n) Show SMILES CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C19H18ClNO3/c1-2-24-19(23)18-15-11-14(22)8-10-16(15)21-17(18)9-5-12-3-6-13(20)7-4-12/h3-4,6-8,10-11,21-22H,2,5,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	3.90E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31142 (5-hydroxy-1H-indole-3-carboxylate, 21) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccccc1 Show InChI InChI=1S/C24H20ClNO3/c1-2-29-24(28)23-19-14-22(27)18(16-8-4-3-5-9-16)13-20(19)26-21(23)12-15-7-6-10-17(25)11-15/h3-11,13-14,26-27H,2,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	5.70E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31115 (5-hydroxy-1H-indole-3-carboxylate, 10c) Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-14-10-13(21)7-8-15(14)20-16(17)9-11-3-5-12(19)6-4-11/h3-8,10,20-21H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	700	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31114 (5-hydroxy-1H-indole-3-carboxylate, 10b) Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-13-10-12(21)7-8-15(13)20-16(17)9-11-5-3-4-6-14(11)19/h3-8,10,20-21H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	1.70E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31118 (5-hydroxy-1H-indole-3-carboxylate, 10m) Show SMILES CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C19H18ClNO3/c1-2-24-19(23)18-15-11-14(22)7-9-16(15)21-17(18)8-6-12-4-3-5-13(20)10-12/h3-5,7,9-11,21-22H,2,6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	2.80E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31113 (5-hydroxy-1H-indole-3-carboxylate, 10a) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-14-10-13(21)6-7-15(14)20-16(17)9-11-4-3-5-12(19)8-11/h3-8,10,20-21H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	1.70E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31117 (5-hydroxy-1H-indole-3-carboxylate, 10l) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClNO3/c1-2-22-17(21)15-13-9-12(20)7-8-14(13)19-16(15)10-3-5-11(18)6-4-10/h3-9,19-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	2.00E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22322 (2-piperazinyl-5-hydroxyindole, 3h | ethyl 2-[4-(4-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22324 (2-amino-5-hydroxyindole, 3j | ethyl 5-hydroxy-2-(p...) Show SMILES CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C17H16N2O3/c1-2-22-17(21)15-13-10-12(20)8-9-14(13)19-16(15)18-11-6-4-3-5-7-11/h3-10,18-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22326 (2-amino-5-hydroxyindole, 3l | ethyl 5-hydroxy-2-[(...) Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22318 (2-piperazinyl-5-hydroxyindole, 3f | ethyl 5-hydrox...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H23N3O3/c1-2-27-21(26)19-17-14-16(25)8-9-18(17)22-20(19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h3-9,14,22,25H,2,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31109 (2-substituted indole-3-carboxylate, 27f) Show SMILES COC(=O)c1c(NCc2ccccc2)[nH]c2ccccc12 Show InChI InChI=1S/C17H16N2O2/c1-21-17(20)15-13-9-5-6-10-14(13)19-16(15)18-11-12-7-3-2-4-8-12/h2-10,18-19H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	4.00E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31144 (1H-benzo[g]indole-3-carboxylate, 30) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc21 Show InChI InChI=1S/C29H22ClNO4/c1-2-34-29(33)26-23-17-25(35-28(32)19-10-4-3-5-11-19)21-13-6-7-14-22(21)27(23)31-24(26)16-18-9-8-12-20(30)15-18/h3-15,17,31H,2,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31112 (2-substituted indole-3-carboxylate, 28) Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C16H12Cl2N2O2/c1-22-16(21)14-12-8-10(18)5-6-13(12)20-15(14)19-11-4-2-3-9(17)7-11/h2-8,19-20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	5.50E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31116 (5-hydroxy-1H-indole-3-carboxylate, 10k) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClNO3/c1-2-22-17(21)15-13-9-12(20)6-7-14(13)19-16(15)10-4-3-5-11(18)8-10/h3-9,19-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	3.30E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22325 (2-amino-5-hydroxyindole, 3k | ethyl 5-hydroxy-2-[(...) Show SMILES CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H18N2O3/c1-3-23-18(22)16-14-10-13(21)8-9-15(14)20-17(16)19-12-6-4-11(2)5-7-12/h4-10,19-21H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31111 (2-substituted indole-3-carboxylate, 27h) Show SMILES COC(=O)c1c([nH]c2ccccc12)N(CC=C)CC=C Show InChI InChI=1S/C16H18N2O2/c1-4-10-18(11-5-2)15-14(16(19)20-3)12-8-6-7-9-13(12)17-15/h4-9,17H,1-2,10-11H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	1.25E+4	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22331 (2-amino-5-hydroxyindole, 3m | ethyl 2-[bis(prop-2-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C Show InChI InChI=1S/C17H20N2O3/c1-4-9-19(10-5-2)16-15(17(21)22-6-3)13-11-12(20)7-8-14(13)18-16/h4-5,7-8,11,18,20H,1-2,6,9-10H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31120 (5-hydroxy-1H-indole-3-carboxylate, 10s) Show SMILES CCOC(=O)c1c(CCc2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C19H19NO3/c1-2-23-19(22)18-15-12-14(21)9-11-16(15)20-17(18)10-8-13-6-4-3-5-7-13/h3-7,9,11-12,20-21H,2,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	5.50E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31104 (2-substituted indole-3-carboxylate, 27a) Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccccc12 Show InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)14-12-7-2-3-8-13(12)19-15(14)18-11-6-4-5-10(17)9-11/h2-9,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	6.50E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31108 (2-substituted indole-3-carboxylate, 27e) Show SMILES COC(=O)c1c(Nc2cccc(Br)c2)[nH]c2ccccc12 Show InChI InChI=1S/C16H13BrN2O2/c1-21-16(20)14-12-7-2-3-8-13(12)19-15(14)18-11-6-4-5-10(17)9-11/h2-9,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	3.50E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22329 (2-aminoindole, 9b | ethyl 2-[(1-phenylethyl)amino]...) Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12 Show InChI InChI=1S/C19H20N2O2/c1-3-23-19(22)17-15-11-7-8-12-16(15)21-18(17)20-13(2)14-9-5-4-6-10-14/h4-13,20-21H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31106 (2-substituted indole-3-carboxylate, 27c) Show SMILES COC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2ccccc12 Show InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)14-12-4-2-3-5-13(12)19-15(14)18-11-8-6-10(17)7-9-11/h2-9,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	7.20E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM22330 (2-amino-5-hydroxyindole, 11 | 5-hydroxy-2-[(1-phen...) Show SMILES CC(Nc1[nH]c2ccc(O)cc2c1C#N)c1ccccc1 Show InChI InChI=1S/C17H15N3O/c1-11(12-5-3-2-4-6-12)19-17-15(10-18)14-9-13(21)7-8-16(14)20-17/h2-9,11,19-21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (human))	BDBM31140 (1H-benzo[g]indole-3-carboxylate, 19) Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21 Show InChI InChI=1S/C24H22ClNO5/c1-4-31-24(28)22-17-10-19(27)15-11-20(29-2)21(30-3)12-16(15)23(17)26-18(22)9-13-6-5-7-14(25)8-13/h5-8,10-12,26-27H,4,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	7.00E+3	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
					More data for this Ligand-Target Pair

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