Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50280963'   

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))	BDBM50280963 (4-Phenyl-7-(quinolin-2-ylmethoxy)-3H-naphtho[2,3-c...) Show SMILES O=C1OCc2c1cc1cc(OCc3ccc4ccccc4n3)ccc1c2-c1ccccc1 Show InChI InChI=1S/C28H19NO3/c30-28-24-15-20-14-22(31-16-21-11-10-18-6-4-5-9-26(18)29-21)12-13-23(20)27(25(24)17-32-28)19-7-2-1-3-8-19/h1-15H,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	88	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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