Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50443815'   

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))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair