Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085220'   

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))	BDBM50085220 ((E)-{Cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-...) Show SMILES OC(=O)C(=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)\c1cccs1 Show InChI InChI=1S/C29H28N2O4S/c32-29(33)27(26-11-6-18-36-26)31-35-28(21-8-2-1-3-9-21)22-13-16-24(17-14-22)34-19-23-15-12-20-7-4-5-10-25(20)30-23/h4-7,10-18,21,28H,1-3,8-9,19H2,(H,32,33)/b31-27+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay				J Med Chem 43: 690-705 (2000) BindingDB Entry DOI: 10.7270/Q2HD7WCR
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