Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50019557'   

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 (Rattus norvegicus)	BDBM50019557 (1-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenyl]-5-...) Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1 Show InChI InChI=1S/C21H21NO6/c1-13(23)18-7-6-17(10-19(18)24)28-12-14-4-3-5-16(8-14)22-11-15(9-20(22)25)21(26)27-2/h3-8,10,15,24H,9,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).				J Med Chem 29: 2329-34 (1986) BindingDB Entry DOI: 10.7270/Q2TH8KNT
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50019557 (1-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenyl]-5-...) Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1 Show InChI InChI=1S/C21H21NO6/c1-13(23)18-7-6-17(10-19(18)24)28-12-14-4-3-5-16(8-14)22-11-15(9-20(22)25)21(26)27-2/h3-8,10,15,24H,9,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)				J Med Chem 29: 2329-34 (1986) BindingDB Entry DOI: 10.7270/Q2TH8KNT
					More data for this Ligand-Target Pair