Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50016671'   

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))	BDBM50016671 (2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(1-phenyl-ethyl...) Show SMILES CC(N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c1-18(21-10-6-3-7-11-21)24(26)23(25)16-19-12-14-22(15-13-19)27-17-20-8-4-2-5-9-20/h2-15,18,26H,16-17H2,1H3	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description Inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase using guinea pig supernatant				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)	BDBM50016671 (2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(1-phenyl-ethyl...) Show SMILES CC(N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c1-18(21-10-6-3-7-11-21)24(26)23(25)16-19-12-14-22(15-13-19)27-17-20-8-4-2-5-9-20/h2-15,18,26H,16-17H2,1H3	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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50016671 (2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(1-phenyl-ethyl...) Show SMILES CC(N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c1-18(21-10-6-3-7-11-21)24(26)23(25)16-19-12-14-22(15-13-19)27-17-20-8-4-2-5-9-20/h2-15,18,26H,16-17H2,1H3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro 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