Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50001177'   

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))	BDBM50001177 (2-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-ethylamine-...) Show SMILES CCOc1ccc2nc(SCCNC(=O)N(O)C(C)C)sc2c1 Show InChI InChI=1S/C15H21N3O3S2/c1-4-21-11-5-6-12-13(9-11)23-15(17-12)22-8-7-16-14(19)18(20)10(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,16,19)	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	390	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
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