Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50347322'   

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))	BDBM50347322 (CHEMBL1796844) Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/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	3.60	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))	BDBM50347322 (CHEMBL1796844) Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/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	7.5	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