Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'filimonov' and Initial = 'd'   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130714 (1-(3-Mercapto-propionyl)-6-methyl-piperidine-2-car...) Show SMILES CC1CCCC(N1C(=O)CCS)C(O)=O Show InChI InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359885 (CHEMBL409741) Show SMILES Clc1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-6-2-1-5-10(11)9-14-15(22)20-17(24-14)21-16-19-12-7-3-4-8-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130714 (1-(3-Mercapto-propionyl)-6-methyl-piperidine-2-car...) Show SMILES CC1CCCC(N1C(=O)CCS)C(O)=O Show InChI InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130714 (1-(3-Mercapto-propionyl)-6-methyl-piperidine-2-car...) Show SMILES CC1CCCC(N1C(=O)CCS)C(O)=O Show InChI InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Rattus norvegicus (Rat))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359883 (CHEMBL407152) Show SMILES [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359887 (CHEMBL259902) Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359884 (CHEMBL409276) Show SMILES [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359893 (CHEMBL260063) Show SMILES O=C1N\C(S\C1=C/c1ccccc1)=N/c1nc2ccccc2s1 Show InChI InChI=1S/C17H11N3OS2/c21-15-14(10-11-6-2-1-3-7-11)23-17(19-15)20-16-18-12-8-4-5-9-13(12)22-16/h1-10H,(H,18,19,20,21)/b14-10-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359888 (CHEMBL1929524) Show SMILES Oc1cccc(\C=C2/S\C(NC2=O)=N/c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H11N3O2S2/c21-11-5-3-4-10(8-11)9-14-15(22)19-17(24-14)20-16-18-12-6-1-2-7-13(12)23-16/h1-9,21H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359889 (CHEMBL259883) Show SMILES Oc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-15(22)19-17(24-14)20-16-18-12-3-1-2-4-13(12)23-16/h1-9,21H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359900 (CHEMBL260125) Show SMILES Oc1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-16(22)19-17(23-14)18-15-12-3-1-2-4-13(12)24-20-15/h1-9,21H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50339185 ((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359886 (CHEMBL261268) Show SMILES Clc1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-5-3-4-10(8-11)9-14-15(22)20-17(24-14)21-16-19-12-6-1-2-7-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359899 (CHEMBL263909) Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-16(22)20-17(23-14)19-15-12-3-1-2-4-13(12)24-21-15/h1-9H,(H,19,20,21,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359892 (CHEMBL258735) Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359894 (CHEMBL407151) Show SMILES [O-][N+](=O)c1ccccc1\C=C1/S\C(NC1=O)=N/c1nsc2ccccc12 Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-1-3-7-12(10)21(23)24)25-17(19-16)18-15-11-6-2-4-8-13(11)26-20-15/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22372 (4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...) Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359891 (CHEMBL1926825) Show SMILES COc1cc(\C=C2/S\C(NC2=O)=N/c2nc3ccccc3s2)cc(OC)c1O Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359901 (CHEMBL260886) Show SMILES COc1cc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359888 (CHEMBL1929524) Show SMILES Oc1cccc(\C=C2/S\C(NC2=O)=N/c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H11N3O2S2/c21-11-5-3-4-10(8-11)9-14-15(22)19-17(24-14)20-16-18-12-6-1-2-7-13(12)23-16/h1-9,21H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359890 (CHEMBL263119) Show SMILES COc1cc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)ccc1O Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-16(23)20-18(26-15)21-17-19-11-4-2-3-5-14(11)25-17/h2-9,22H,1H3,(H,19,20,21,23)/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359894 (CHEMBL407151) Show SMILES [O-][N+](=O)c1ccccc1\C=C1/S\C(NC1=O)=N/c1nsc2ccccc12 Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-1-3-7-12(10)21(23)24)25-17(19-16)18-15-11-6-2-4-8-13(11)26-20-15/h1-9H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359882 (CHEMBL260059) Show SMILES [O-][N+](=O)c1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-1-3-7-12(10)21(23)24)26-17(19-15)20-16-18-11-6-2-4-8-13(11)25-16/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359886 (CHEMBL261268) Show SMILES Clc1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-5-3-4-10(8-11)9-14-15(22)20-17(24-14)21-16-19-12-6-1-2-7-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359889 (CHEMBL259883) Show SMILES Oc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-15(22)19-17(24-14)20-16-18-12-3-1-2-4-13(12)23-16/h1-9,21H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359896 (CHEMBL410649) Show SMILES [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-7-11(8-6-10)21(23)24)25-17(19-16)18-15-12-3-1-2-4-13(12)26-20-15/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359890 (CHEMBL263119) Show SMILES COc1cc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)ccc1O Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-16(23)20-18(26-15)21-17-19-11-4-2-3-5-14(11)25-17/h2-9,22H,1H3,(H,19,20,21,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359883 (CHEMBL407152) Show SMILES [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359897 (CHEMBL264164) Show SMILES Clc1ccccc1\C=C1/S\C(NC1=O)=N/c1nsc2ccccc12 Show InChI InChI=1S/C17H10ClN3OS2/c18-12-7-3-1-5-10(12)9-14-16(22)20-17(23-14)19-15-11-6-2-4-8-13(11)24-21-15/h1-9H,(H,19,20,21,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359887 (CHEMBL259902) Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359884 (CHEMBL409276) Show SMILES [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359899 (CHEMBL263909) Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-16(22)20-17(23-14)19-15-12-3-1-2-4-13(12)24-21-15/h1-9H,(H,19,20,21,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50359896 (CHEMBL410649) Show SMILES [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-7-11(8-6-10)21(23)24)25-17(19-16)18-15-12-3-1-2-4-13(12)26-20-15/h1-9H,(H,18,19,20,22)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359885 (CHEMBL409741) Show SMILES Clc1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1 Show InChI InChI=1S/C17H10ClN3OS2/c18-11-6-2-1-5-10(11)9-14-15(22)20-17(24-14)21-16-19-12-7-3-4-8-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50359895 (CHEMBL261267) Show SMILES [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)c1 Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-4-3-5-11(8-10)21(23)24)25-17(19-16)18-15-12-6-1-2-7-13(12)26-20-15/h1-9H,(H,18,19,20,22)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM24518 ((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...) Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1 Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22340 ((5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thiazol...) Show SMILES [O-][N+](=O)c1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:8.7,c:18| Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	7.4	28
Aristotle University					Assay Description The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...				J Med Chem 51: 1601-9 (2008) Article DOI: 10.1021/jm701496h BindingDB Entry DOI: 10.7270/Q2JM27XJ
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22337 ((5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-...) Show SMILES COc1cc(C=C2SC(Nc3nccs3)=NC2=O)ccc1O |w:5.4,c:15| Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.95E+4	n/a	n/a	n/a	n/a	7.4	28
Aristotle University					Assay Description The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...				J Med Chem 51: 1601-9 (2008) Article DOI: 10.1021/jm701496h BindingDB Entry DOI: 10.7270/Q2JM27XJ
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM24515 ((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)/b11-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexander Technological Education Institute of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxyli...				Eur J Med Chem 47: 111-24 (2012) Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130715 (4-[(Hydroxy-phenethyl-phosphinoylmethyl)-amino]-bu...) Show SMILES OC(=O)CCCN=CP(O)(O)CCc1ccccc1 |w:6.5| Show InChI InChI=1S/C13H20NO4P/c15-13(16)7-4-9-14-11-19(17,18)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,17-19H,4,7-10H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair

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