Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50280980'   

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))	BDBM50280980 (9-Benzo[1,3]dioxol-5-yl-7,8-dihydro-1,3-dioxa-7-az...) Show SMILES O=C1NCc2c1cc1cc3OCOc3cc1c2-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H13NO5/c22-20-13-3-11-5-17-18(26-9-25-17)6-12(11)19(14(13)7-21-20)10-1-2-15-16(4-10)24-8-23-15/h1-6H,7-9H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for inhibition of LTB4 biosynthesis by human leukocytes				Bioorg Med Chem Lett 3: 2063-2066 (1993) Article DOI: 10.1016/S0960-894X(01)81016-7 BindingDB Entry DOI: 10.7270/Q2T43T1Z
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