Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50015144   

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))	BDBM50583291 (CHEMBL5085074) Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(c2)C(F)(F)F)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583293 (CHEMBL5088008) Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(C)c2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583295 (CHEMBL5093372) Show SMILES COc1cccc(CCOC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583289 (CHEMBL5080803) Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(F)c2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583290 (CHEMBL5088166) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2F)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583294 (CHEMBL5072274) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2C)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583296 (CHEMBL5085633) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2OC)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583308 (CHEMBL5089203) Show SMILES COc1cc(\C=C\c2nc(CCc3ccccc3)no2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583302 (CHEMBL5071392) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)cc(OC)c1OC(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583288 (CHEMBL4794186) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583307 (CHEMBL5072348) Show SMILES COc1cc(\C=C\c2nc(Cc3ccccc3)no2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583298 (CHEMBL4759754) Show SMILES COc1cc(\C=C\C(=O)OCCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583292 (CHEMBL5073724) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2C(F)(F)F)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583303 (CHEMBL5092055) Show SMILES COc1cc(\C=C\C(=O)CCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583304 (CHEMBL5077729) Show SMILES COc1cc(CCC(=O)CCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583306 (CHEMBL5084797) Show SMILES COc1cc(\C=C\COCCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583301 (CHEMBL5078319) Show SMILES COc1cc(CCC(=O)OCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583297 (CHEMBL5084822) Show SMILES CCCOC(=O)\C=C\c1cc(OC)c(O)c(OC)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583299 (CHEMBL5084841) Show SMILES COc1cc(\C=C\C(=O)NCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583305 (CHEMBL5079669) Show SMILES COc1cc(\C=C\COCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50583300 (CHEMBL5074759) Show SMILES COc1cc(CC(=O)OCCc2ccccc2)cc(OC)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsi...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00982 BindingDB Entry DOI: 10.7270/Q2W099TK
					More data for this Ligand-Target Pair