Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50045659'   

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))	BDBM50045659 (3-[1-(4-Chloro-benzyl)-6-(5-phenyl-pyridin-2-ylmet...) Show SMILES CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C34H31ClN2O3S/c1-34(2,33(38)39)18-29-32-31-27(16-17-41-32)30(15-14-28(31)37(29)20-22-8-11-25(35)12-9-22)40-21-26-13-10-24(19-36-26)23-6-4-3-5-7-23/h3-15,19H,16-18,20-21H2,1-2H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes				J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50045659 (3-[1-(4-Chloro-benzyl)-6-(5-phenyl-pyridin-2-ylmet...) Show SMILES CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C34H31ClN2O3S/c1-34(2,33(38)39)18-29-32-31-27(16-17-41-32)30(15-14-28(31)37(29)20-22-8-11-25(35)12-9-22)40-21-26-13-10-24(19-36-26)23-6-4-3-5-7-23/h3-15,19H,16-18,20-21H2,1-2H3,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes				J Med Chem 36: 2771-87 (1993) BindingDB Entry DOI: 10.7270/Q28914XB
					More data for this Ligand-Target Pair