Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50001184'   

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))	BDBM50001184 (2-(6-Isopropyl-benzothiazol-2-ylsulfanyl)-ethylami...) Show SMILES CC(C)c1ccc2nc(SCCNC(=O)N(C)O)sc2c1 Show InChI InChI=1S/C14H19N3O2S2/c1-9(2)10-4-5-11-12(8-10)21-14(16-11)20-7-6-15-13(18)17(3)19/h4-5,8-9,19H,6-7H2,1-3H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.				J Med Chem 35: 3180-3 (1992) BindingDB Entry DOI: 10.7270/Q2542P68
					More data for this Ligand-Target Pair