Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50041172'   

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))	BDBM50041172 (2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...) Show SMILES CC(NCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C35H34ClN3O3S/c1-22-18-29-32(42-21-28-13-10-26(19-38-28)25-6-4-3-5-7-25)15-14-30-33(29)34(43-22)31(16-17-37-23(2)35(40)41)39(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23,37H,16-18,20-21H2,1-2H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of human 5-Lipoxygenase.				J Med Chem 37: 1153-64 (1994) BindingDB Entry DOI: 10.7270/Q2PV6JF5
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