Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50016681'   

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))	BDBM50016681 (2-(3-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-propi...) Show SMILES CC(C(=O)N(O)CCc1ccccc1)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H25NO3/c1-19(24(26)25(27)16-15-20-9-4-2-5-10-20)22-13-8-14-23(17-22)28-18-21-11-6-3-7-12-21/h2-14,17,19,27H,15-16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description Invitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase				J Med Chem 32: 1836-42 (1989) BindingDB Entry DOI: 10.7270/Q2VT1R21
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50016681 (2-(3-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-propi...) Show SMILES CC(C(=O)N(O)CCc1ccccc1)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H25NO3/c1-19(24(26)25(27)16-15-20-9-4-2-5-10-20)22-13-8-14-23(17-22)28-18-21-11-6-3-7-12-21/h2-14,17,19,27H,15-16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase				J Med Chem 32: 1836-42 (1989) BindingDB Entry DOI: 10.7270/Q2VT1R21
					More data for this Ligand-Target Pair