Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50001172'   

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))	BDBM50001172 (2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-ethanamino-N...) Show SMILES CC(C)N(O)C(=O)NCCSc1nc2ccccc2s1 Show InChI InChI=1S/C13H17N3O2S2/c1-9(2)16(18)12(17)14-7-8-19-13-15-10-5-3-4-6-11(10)20-13/h3-6,9,18H,7-8H2,1-2H3,(H,14,17)	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	130	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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