Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM235668'   

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
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM235668 (4-Methyl-8,11-dihydro-2H-oxepino[2,3-h]chromen-2-o...) Show SMILES Cc1cc(=O)oc2c3CC=CCOc3ccc12 |c:9| Show InChI InChI=1S/C14H12O3/c1-9-8-13(15)17-14-10(9)5-6-12-11(14)4-2-3-7-16-12/h2-3,5-6,8H,4,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	25
Aristotle University of Thessaloniki					Assay Description In vitro study was evaluated as reported previously [Symeonidis et al., Bioorg. Med. Chem. Lett., 19:1139-1142]. The tested compounds dissolved in et...				J Enzyme Inhib Med Chem 26: 805-12 (2011) Article DOI: 10.3109/14756366.2011.555944 BindingDB Entry DOI: 10.7270/Q2WS8S5D
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