Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'bertsch' and Initial = 'b'   

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))	BDBM50012827 (10H-Phenoxazine | CHEMBL276850 | PHENOXAZINE) Show SMILES N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279849 ((E)-3-(10H-Phenoxazin-2-yl)-acrylic acid ethyl est...) Show SMILES CCOC(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C17H15NO3/c1-2-20-17(19)10-8-12-7-9-16-14(11-12)18-13-5-3-4-6-15(13)21-16/h3-11,18H,2H2,1H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50280050 (5-Methyl-2-[2-(10H-phenothiazin-2-yloxy)-ethyl]-2,...) Show SMILES Cc1cc(=O)n(CCOc2ccc3Sc4ccccc4Nc3c2)[nH]1 Show InChI InChI=1S/C18H17N3O2S/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-17-15(11-13)19-14-4-2-3-5-16(14)24-17/h2-7,10-11,19-20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50280049 (5-Methyl-2-[2-(10H-phenothiazin-3-yloxy)-ethyl]-2,...) Show SMILES Cc1cc(=O)n(CCOc2ccc3Nc4ccccc4Sc3c2)[nH]1 Show InChI InChI=1S/C18H17N3O2S/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-15-17(11-13)24-16-5-3-2-4-14(16)19-15/h2-7,10-11,19-20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279848 (10H-Phenoxazine-2-carboxylic acid methyl ester | C...) Show SMILES COC(=O)c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C14H11NO3/c1-17-14(16)9-6-7-13-11(8-9)15-10-4-2-3-5-12(10)18-13/h2-8,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279846 ((E)-N-Hydroxy-N-methyl-3-(10H-phenoxazin-2-yl)-acr...) Show SMILES CN(O)C(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C16H14N2O3/c1-18(20)16(19)9-7-11-6-8-15-13(10-11)17-12-4-2-3-5-14(12)21-15/h2-10,17,20H,1H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279855 (10H-Phenoxazine-2-carboxylic acid hydroxy-methyl-a...) Show SMILES CN(O)C(=O)c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C14H12N2O3/c1-16(18)14(17)9-6-7-13-11(8-9)15-10-4-2-3-5-12(10)19-13/h2-8,15,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50280048 (5-Methyl-2-[2-(10H-phenoxazin-2-yloxy)-ethyl]-2,4-...) Show SMILES Cc1cc(=O)n(CCOc2ccc3Oc4ccccc4Nc3c2)[nH]1 Show InChI InChI=1S/C18H17N3O3/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-17-15(11-13)19-14-4-2-3-5-16(14)24-17/h2-7,10-11,19-20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279853 (10H-Phenoxazine-2-carboxylic acid hydroxyamide | C...) Show SMILES ONC(=O)c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C13H10N2O3/c16-13(15-17)8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)18-12/h1-7,14,17H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50280047 (2-[2-(Naphthalen-2-yloxy)-ethyl]-2,3a,4,5,6,7-hexa...) Show SMILES O=c1c2CCCCc2[nH]n1CCOc1ccc2ccccc2c1 Show InChI InChI=1S/C19H20N2O2/c22-19-17-7-3-4-8-18(17)20-21(19)11-12-23-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-10,13,20H,3-4,7-8,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279856 (2-Methoxy-10H-phenoxazine-1-carboxylic acid hydrox...) Show SMILES COc1ccc2Oc3ccccc3Nc2c1C(=O)NO Show InChI InChI=1S/C14H12N2O4/c1-19-10-6-7-11-13(12(10)14(17)16-18)15-8-4-2-3-5-9(8)20-11/h2-7,15,18H,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50280046 (2-[2-(Naphthalen-2-yloxy)-ethyl]-3a,4,5,6-tetrahyd...) Show SMILES O=c1c2CCCc2[nH]n1CCOc1ccc2ccccc2c1 Show InChI InChI=1S/C18H18N2O2/c21-18-16-6-3-7-17(16)19-20(18)10-11-22-15-9-8-13-4-1-2-5-14(13)12-15/h1-2,4-5,8-9,12,19H,3,6-7,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279852 (10H-Phenoxazine-1-carboxylic acid | CHEMBL274905) Show SMILES OC(=O)c1cccc2Oc3ccccc3Nc12 Show InChI InChI=1S/C13H9NO3/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279847 (10H-Phenoxazine-1-carboxylic acid methyl ester | C...) Show SMILES COC(=O)c1cccc2Oc3ccccc3Nc12 Show InChI InChI=1S/C14H11NO3/c1-17-14(16)9-5-4-8-12-13(9)15-10-6-2-3-7-11(10)18-12/h2-8,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50008999 (5-Methyl-2-[2-(naphthalen-2-yloxy)-ethyl]-2,4-dihy...) Show SMILES Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1 Show InChI InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN				Bioorg Med Chem Lett 2: 59-62 (1992) Article DOI: 10.1016/S0960-894X(00)80655-1 BindingDB Entry DOI: 10.7270/Q2FB52TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279854 ((E)-3-(10H-Phenoxazin-2-yl)-acrylic acid | CHEMBL2...) Show SMILES OC(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C15H11NO3/c17-15(18)8-6-10-5-7-14-12(9-10)16-11-3-1-2-4-13(11)19-14/h1-9,16H,(H,17,18)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279850 (2-Methoxy-10H-phenoxazine-1-carboxylic acid | CHEM...) Show SMILES COc1ccc2Oc3ccccc3Nc2c1C(O)=O Show InChI InChI=1S/C14H11NO4/c1-18-10-6-7-11-13(12(10)14(16)17)15-8-4-2-3-5-9(8)19-11/h2-7,15H,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50279851 (10H-Phenoxazine-2-carboxylic acid | CHEMBL12816) Show SMILES OC(=O)c1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C13H9NO3/c15-13(16)8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)17-12/h1-7,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)				Bioorg Med Chem Lett 1: 107-110 (1991) Article DOI: 10.1016/S0960-894X(00)80241-3 BindingDB Entry DOI: 10.7270/Q2DF6R3J
					More data for this Ligand-Target Pair