Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50029577'   

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))	BDBM50029577 (2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...) Show SMILES CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C36H35ClN2O4S/c1-3-32(36(40)41)42-18-17-31-35-34-29(19-23(2)44-35)33(16-15-30(34)39(31)21-24-9-12-27(37)13-10-24)43-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25/h4-16,20,23,32H,3,17-19,21-22H2,1-2H3,(H,40,41)	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	13	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
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50029577 (2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...) Show SMILES CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C36H35ClN2O4S/c1-3-32(36(40)41)42-18-17-31-35-34-29(19-23(2)44-35)33(16-15-30(34)39(31)21-24-9-12-27(37)13-10-24)43-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25/h4-16,20,23,32H,3,17-19,21-22H2,1-2H3,(H,40,41)	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	22	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
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50029577 (2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...) Show SMILES CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C36H35ClN2O4S/c1-3-32(36(40)41)42-18-17-31-35-34-29(19-23(2)44-35)33(16-15-30(34)39(31)21-24-9-12-27(37)13-10-24)43-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25/h4-16,20,23,32H,3,17-19,21-22H2,1-2H3,(H,40,41)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Human 5-lipoxygenase				J Med Chem 38: 4538-47 (1995) BindingDB Entry DOI: 10.7270/Q2C53JW5
					More data for this Ligand-Target Pair