Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50347326'   

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 (Oryctolagus cuniculus (rabbit))	BDBM50347326 (CHEMBL1796848) Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r| Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay				Bioorg Med Chem Lett 21: 4141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.107 BindingDB Entry DOI: 10.7270/Q2028RW3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Oryctolagus cuniculus (rabbit))	BDBM50347326 (CHEMBL1796848) Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r| Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay				Bioorg Med Chem Lett 21: 4141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.107 BindingDB Entry DOI: 10.7270/Q2028RW3
					More data for this Ligand-Target Pair