Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'seyedi' and Initial = 'sm'   

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
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234360 (2-Allyl-1-isopropoxy-4-methoxybenzene (4d)) Show SMILES COc1ccc(OC(C)C)c(CC=C)c1 Show InChI InChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	-31.2	5.90E+3	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234363 (2-Allyl-1-isobutoxy-4-methoxybenzene (4g)) Show SMILES COc1ccc(OCC(C)C)c(CC=C)c1 Show InChI InChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.43E+3	-28.7	3.58E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234359 (2-Allyl-4-methoxy-1-propoxybenzene (4c)) Show SMILES CCCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.88E+3	-28.4	3.43E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234362 (2-Allyl-1-sec-butoxy-4-methoxybenzene (4f)) Show SMILES CCC(C)Oc1ccc(OC)cc1CC=C Show InChI InChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.91E+3	-26.8	2.08E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234366 (2-Allyl-1-cyclohexyloxy-4-methoxybenzene (4j)) Show SMILES COc1ccc(OC2CCCCC2)c(CC=C)c1 Show InChI InChI=1S/C16H22O2/c1-3-7-13-12-15(17-2)10-11-16(13)18-14-8-5-4-6-9-14/h3,10-12,14H,1,4-9H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+4	-25.5	4.41E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234365 (2-Allyl-1-cyclopentyloxy-4-methoxybenzene (4i)) Show SMILES COc1ccc(OC2CCCC2)c(CC=C)c1 Show InChI InChI=1S/C15H20O2/c1-3-6-12-11-14(16-2)9-10-15(12)17-13-7-4-5-8-13/h3,9-11,13H,1,4-8H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.41E+4	-25.5	4.02E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234361 (2-Allyl-1-butoxy-4-methoxybenzene (4e)) Show SMILES CCCCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.72E+4	-25.0	5.86E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234358 (2-Allyl-1-ethoxy-4-methoxybenzene (4b)) Show SMILES CCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.72E+4	-24.0	9.11E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234357 (2-Allyl-1,4-dimethoxybenzene (4a)) Show SMILES COc1ccc(OC)c(CC=C)c1 Show InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.19E+4	-23.6	9.31E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234364 (2-Allyl-1- tert-butoxy-4-methoxybenzene (4h)) Show SMILES COc1ccc(OC(C)(C)C)c(CC=C)c1 Show InChI InChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.32E+4	-23.5	1.14E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308952 (4-Methyl-6-({3-[(4-methylpiperidino)carbonyl]-benz...) Show SMILES CC1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192765 (1,3-Dimethoxy-5-methyl-2-((2E,6E)-3,7,11-trimethyl...) Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-22-23(25-6)16-21(5)17-24(22)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308954 (4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308951 (4-Methyl-6-{[3-(piperidinocarbonyl)benzyl]oxy}-1,2...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCCC3)cc12 Show InChI InChI=1S/C23H24N2O3/c1-16-12-22(26)24-21-9-8-19(14-20(16)21)28-15-17-6-5-7-18(13-17)23(27)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308949 (1-(3-{[(4-Methyl-2-oxo-1,2-dihydro-6-quinolinyl)ox...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(CC3)C(O)=O)cc12 Show InChI InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308950 (6-({3-[(4-Hydroxypiperidino)carbonyl]benzyl}oxy)-4...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C23H24N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13,18,26H,7-10,14H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308948 (4-Methyl-6-(3-[(4-oxopiperidino)carbonyl]benzyloxy...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(=O)CC3)cc12 Show InChI InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308954 (4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308948 (4-Methyl-6-(3-[(4-oxopiperidino)carbonyl]benzyloxy...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(=O)CC3)cc12 Show InChI InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308949 (1-(3-{[(4-Methyl-2-oxo-1,2-dihydro-6-quinolinyl)ox...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(CC3)C(O)=O)cc12 Show InChI InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308953 (4-Methyl-6-{[3-(morpholinocarbonyl)benzyl]oxy}-1,2...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCOCC3)cc12 Show InChI InChI=1S/C22H22N2O4/c1-15-11-21(25)23-20-6-5-18(13-19(15)20)28-14-16-3-2-4-17(12-16)22(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10,14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308950 (6-({3-[(4-Hydroxypiperidino)carbonyl]benzyl}oxy)-4...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C23H24N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13,18,26H,7-10,14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308946 (4-Methyl-6-({3-[(4-ethylpiperazino)carbonyl]-benzy...) Show SMILES CCN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H27N3O3/c1-3-26-9-11-27(12-10-26)24(29)19-6-4-5-18(14-19)16-30-20-7-8-22-21(15-20)17(2)13-23(28)25-22/h4-8,13-15H,3,9-12,16H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308953 (4-Methyl-6-{[3-(morpholinocarbonyl)benzyl]oxy}-1,2...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCOCC3)cc12 Show InChI InChI=1S/C22H22N2O4/c1-15-11-21(25)23-20-6-5-18(13-19(15)20)28-14-16-3-2-4-17(12-16)22(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10,14H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308952 (4-Methyl-6-({3-[(4-methylpiperidino)carbonyl]-benz...) Show SMILES CC1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308947 (6-[(3-{[4-(2-Hydroxyethyl)piperazino]carbonyl}-ben...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCN(CCO)CC3)cc12 Show InChI InChI=1S/C24H27N3O4/c1-17-13-23(29)25-22-6-5-20(15-21(17)22)31-16-18-3-2-4-19(14-18)24(30)27-9-7-26(8-10-27)11-12-28/h2-6,13-15,28H,7-12,16H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308951 (4-Methyl-6-{[3-(piperidinocarbonyl)benzyl]oxy}-1,2...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCCC3)cc12 Show InChI InChI=1S/C23H24N2O3/c1-16-12-22(26)24-21-9-8-19(14-20(16)21)28-15-17-6-5-7-18(13-17)23(27)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308945 (4-Methyl-6-({3-[(4-methylpiperazino)carbonyl]-benz...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C23H25N3O3/c1-16-12-22(27)24-21-7-6-19(14-20(16)21)29-15-17-4-3-5-18(13-17)23(28)26-10-8-25(2)9-11-26/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308946 (4-Methyl-6-({3-[(4-ethylpiperazino)carbonyl]-benzy...) Show SMILES CCN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H27N3O3/c1-3-26-9-11-27(12-10-26)24(29)19-6-4-5-18(14-19)16-30-20-7-8-22-21(15-20)17(2)13-23(28)25-22/h4-8,13-15H,3,9-12,16H2,1-2H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308947 (6-[(3-{[4-(2-Hydroxyethyl)piperazino]carbonyl}-ben...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCN(CCO)CC3)cc12 Show InChI InChI=1S/C24H27N3O4/c1-17-13-23(29)25-22-6-5-20(15-21(17)22)31-16-18-3-2-4-19(14-18)24(30)27-9-7-26(8-10-27)11-12-28/h2-6,13-15,28H,7-12,16H2,1H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308956 (6-(3-(4-methylpiperazine-1-carbonyl)benzyloxy)quin...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI InChI=1S/C22H23N3O3/c1-24-9-11-25(12-10-24)22(27)18-4-2-3-16(13-18)15-28-19-6-7-20-17(14-19)5-8-21(26)23-20/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308945 (4-Methyl-6-({3-[(4-methylpiperazino)carbonyl]-benz...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C23H25N3O3/c1-16-12-22(27)24-21-7-6-19(14-20(16)21)29-15-17-4-3-5-18(13-17)23(28)26-10-8-25(2)9-11-26/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192764 ((E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)-1,3-dimetho...) Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C19H28O2/c1-14(2)8-7-9-15(3)10-11-17-18(20-5)12-16(4)13-19(17)21-6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308956 (6-(3-(4-methylpiperazine-1-carbonyl)benzyloxy)quin...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI InChI=1S/C22H23N3O3/c1-24-9-11-25(12-10-24)22(27)18-4-2-3-16(13-18)15-28-19-6-7-20-17(14-19)5-8-21(26)23-20/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192763 (1,3-Dimethoxy-5-methyl-2-(3-methylbut-2-en-1-yl)be...) Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C14H20O2/c1-10(2)6-7-12-13(15-4)8-11(3)9-14(12)16-5/h6,8-9H,7H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50016980 (6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...) Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50016980 (6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...) Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192766 (4-MMPB) Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192762 (2-Allyl-1,3-dimethoxy-5-methylbenzene (8)) Show SMILES COc1cc(C)cc(OC)c1CC=C Show InChI InChI=1S/C12H16O2/c1-5-6-10-11(13-3)7-9(2)8-12(10)14-4/h5,7-8H,1,6H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192758 (1-Allyl-2,4-dimethoxybenzene (4) | 1-Allyl-2,4-dim...) Show SMILES COc1ccc(CC=C)c(OC)c1 Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50379791 (METHYLEUGENOL | Methyl eugenol (1)) Show SMILES COc1ccc(CC=C)cc1OC Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM50164168 (1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...) Show SMILES COc1cc(CC=C)ccc1O Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192756 (1-Allyl-3,5-dimethoxybenzene (2)) Show SMILES COc1cc(CC=C)cc(OC)c1 Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h4,6-8H,1,5H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192760 (2-Allyl-1,3-dimethoxybenzene (6)) Show SMILES COc1cccc(OC)c1CC=C Show InChI InChI=1S/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192761 (2-Allyl-1,3,5-trimethoxybenzene (7)) Show SMILES COc1cc(OC)c(CC=C)c(OC)c1 Show InChI InChI=1S/C12H16O3/c1-5-6-10-11(14-3)7-9(13-2)8-12(10)15-4/h5,7-8H,1,6H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.32E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM50379791 (METHYLEUGENOL | Methyl eugenol (1)) Show SMILES COc1ccc(CC=C)cc1OC Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.61E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192758 (1-Allyl-2,4-dimethoxybenzene (4) | 1-Allyl-2,4-dim...) Show SMILES COc1ccc(CC=C)c(OC)c1 Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192757 (1,2-dimethoxy-3-(prop-2-en-1-yl)benzene (3) | Meth...) Show SMILES COc1cccc(CC=C)c1OC Show InChI InChI=1S/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-5,7-8H,1,6H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM192757 (1,2-dimethoxy-3-(prop-2-en-1-yl)benzene (3) | Meth...) Show SMILES COc1cccc(CC=C)c1OC Show InChI InChI=1S/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-5,7-8H,1,6H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair