Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50048145   

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 lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50123745 (CHEMBL3622746) Show SMILES CCN([C@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cnccn1)-c1cccs1 |r| Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50123669 (CHEMBL3622735) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@@H](C)CCCC(C)C |r| Show InChI InChI=1S/C21H28ClNO3/c1-5-26-21(25)20-19(16-10-9-15(22)12-17(16)23-20)18(24)11-14(4)8-6-7-13(2)3/h9-10,12-14,23H,5-8,11H2,1-4H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50123798 (CHEMBL235920) Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1 Show InChI InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50206306 (CHEMBL2360534) Show SMILES CCCCNC(=O)c1cc(sc1N)-c1ccccc1 Show InChI InChI=1S/C15H18N2OS/c1-2-3-9-17-15(18)12-10-13(19-14(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50208823 (6,11-dihydrothiochromeno[4,3-b]indole | CHEMBL1809...) Show SMILES C1Sc2ccccc2-c2[nH]c3ccccc3c12 Show InChI InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
					More data for this Ligand-Target Pair