Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50033336   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50270591 (2-(6-chloro-9-(3-hydroxy-3-methylbutyl)-1H-phenant...) Show SMILES CC(C)(O)CCc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C28H21ClN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,10-11H2,1-2H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168766 (3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168776 (3-(5-(2'-chloro-2-fluorobiphenyl-4-yl)-1-(4-chloro...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1Cl Show InChI InChI=1S/C33H28Cl2FNO2/c1-20-27-16-22(23-10-14-26(29(36)17-23)25-6-4-5-7-28(25)35)11-15-30(27)37(19-21-8-12-24(34)13-9-21)31(20)18-33(2,3)32(38)39/h4-17H,18-19H2,1-3H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168761 (3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168768 (3-(5-(biphenyl-4-yl)-1-(4-chlorobenzyl)-3-methyl-1...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H30ClNO2/c1-22-29-19-27(26-13-11-25(12-14-26)24-7-5-4-6-8-24)15-18-30(29)35(21-23-9-16-28(34)17-10-23)31(22)20-33(2,3)32(36)37/h4-19H,20-21H2,1-3H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343537 (5-(4-tert-butylbenzyl)-1-(4-isopropoxyphenyl)-1H-i...) Show SMILES CC(C)Oc1ccc(cc1)-n1c(cc2cc(Cc3ccc(cc3)C(C)(C)C)ccc12)C(O)=O Show InChI InChI=1S/C29H31NO3/c1-19(2)33-25-13-11-24(12-14-25)30-26-15-8-21(17-22(26)18-27(30)28(31)32)16-20-6-9-23(10-7-20)29(3,4)5/h6-15,17-19H,16H2,1-5H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343535 (3-(1-(4-chlorobenzyl)-3-(benzylthio)-5-(2-(4-chlor...) Show SMILES CC(C)(Cc1c(SCc2ccccc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccc(Cl)cc1F)C(O)=O Show InChI InChI=1S/C35H28Cl2FNO2S/c1-35(2,34(40)41)20-32-33(42-22-25-6-4-3-5-7-25)29-18-23(8-12-26-13-16-28(37)19-30(26)38)11-17-31(29)39(32)21-24-9-14-27(36)15-10-24/h3-7,9-11,13-19H,20-22H2,1-2H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343539 (5-(4-tert-butylbenzyl)-3-(4-isopropoxyphenyl)-1-(4...) Show SMILES CC(C)Nc1ccc(cc1)-n1c(C(O)=O)c(-c2ccc(OC(C)C)cc2)c2cc(Cc3ccc(cc3)C(C)(C)C)ccc12 Show InChI InChI=1S/C38H42N2O3/c1-24(2)39-30-15-17-31(18-16-30)40-34-21-10-27(22-26-8-13-29(14-9-26)38(5,6)7)23-33(34)35(36(40)37(41)42)28-11-19-32(20-12-28)43-25(3)4/h8-21,23-25,39H,22H2,1-7H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168771 (3-[1-(4-Chloro-benzyl)-3-(3,3-dimethyl-butyryl)-5-...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C(=O)CC(C)(C)C)c2c1 Show InChI InChI=1S/C29H36ClNO3/c1-18(2)20-10-13-23-22(14-20)26(25(32)16-28(3,4)5)24(15-29(6,7)27(33)34)31(23)17-19-8-11-21(30)12-9-19/h8-14,18H,15-17H2,1-7H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50270594 (4-(3-chlorobenzyl)-2,6-bis(4-(trifluoromethoxy)phe...) Show SMILES OC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)c2sc(cc2n1Cc1cccc(Cl)c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H16ClF6NO4S/c29-18-3-1-2-15(12-18)14-36-21-13-22(16-4-8-19(9-5-16)39-27(30,31)32)41-25(21)23(24(36)26(37)38)17-6-10-20(11-7-17)40-28(33,34)35/h1-13H,14H2,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343531 (2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phen...) Show SMILES Cc1cc(Oc2ccc(Cl)cc2NC(=O)Nc2cccc(c2)C(F)(F)F)cc(c1Cl)S(O)(=O)=O Show InChI InChI=1S/C21H15Cl2F3N2O5S/c1-11-7-15(10-18(19(11)23)34(30,31)32)33-17-6-5-13(22)9-16(17)28-20(29)27-14-4-2-3-12(8-14)21(24,25)26/h2-10H,1H3,(H2,27,28,29)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343533 (2,2'-(biphenyl-4,4'-diyl)bis(6-chloroquinoline-4-c...) Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(C(O)=O)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C32H18Cl2N2O4/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30/h1-16H,(H,37,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343526 ((Z)-4-(3-((5-(4-Bromophenyl)furan-2-yl)methylene)-...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C=C1c1ccccc1 |c:29| Show InChI InChI=1S/C28H18BrNO4/c29-22-10-6-19(7-11-22)26-15-14-24(34-26)16-21-17-25(18-4-2-1-3-5-18)30(27(21)31)23-12-8-20(9-13-23)28(32)33/h1-17H,(H,32,33)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343530 (5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...) Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168781 (3-[1-(4-Chloro-benzyl)-5-isopropyl-3-(2-methyl-ben...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(C(=O)c3ccccc3C)c2c1 Show InChI InChI=1S/C31H32ClNO3/c1-19(2)22-12-15-26-25(16-22)28(29(34)24-9-7-6-8-20(24)3)27(17-31(4,5)30(35)36)33(26)18-21-10-13-23(32)14-11-21/h6-16,19H,17-18H2,1-5H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343540 ((R)-2-(4-(biphenyl-4-ylmethylamino)-6-chloropyrimi...) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50273441 ((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343533 (2,2'-(biphenyl-4,4'-diyl)bis(6-chloroquinoline-4-c...) Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(C(O)=O)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C32H18Cl2N2O4/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30/h1-16H,(H,37,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343533 (2,2'-(biphenyl-4,4'-diyl)bis(6-chloroquinoline-4-c...) Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(C(O)=O)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C32H18Cl2N2O4/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30/h1-16H,(H,37,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343525 (2-(4-bromo-3-(N-p-tolylsulfamoyl)benzamido)benzoic...) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C21H17BrN2O5S/c1-13-6-9-15(10-7-13)24-30(28,29)19-12-14(8-11-17(19)22)20(25)23-18-5-3-2-4-16(18)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343528 (3-(9-(3-bromo-4-(4-chlorobenzyloxy)phenyl)-3,3,6,6...) Show SMILES CC1(C)CC(=O)C2=C(C1)N(CCC(O)=O)C1=C(C2c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)CC(C)(C)C1 |c:6,16| Show InChI InChI=1S/C33H35BrClNO5/c1-32(2)14-23-30(25(37)16-32)29(31-24(36(23)12-11-28(39)40)15-33(3,4)17-26(31)38)20-7-10-27(22(34)13-20)41-18-19-5-8-21(35)9-6-19/h5-10,13,29H,11-12,14-18H2,1-4H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343536 ((R)-2-(4-(3,5-bis(2,2,2-trifluoroethoxy)phenylamin...) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1)C(O)=O |r| Show InChI InChI=1S/C22H24ClF6N3O4S/c1-2-3-4-5-6-16(19(33)34)37-20-31-17(23)10-18(32-20)30-13-7-14(35-11-21(24,25)26)9-15(8-13)36-12-22(27,28)29/h7-10,16H,2-6,11-12H2,1H3,(H,33,34)(H,30,31,32)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343531 (2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phen...) Show SMILES Cc1cc(Oc2ccc(Cl)cc2NC(=O)Nc2cccc(c2)C(F)(F)F)cc(c1Cl)S(O)(=O)=O Show InChI InChI=1S/C21H15Cl2F3N2O5S/c1-11-7-15(10-18(19(11)23)34(30,31)32)33-17-6-5-13(22)9-16(17)28-20(29)27-14-4-2-3-12(8-14)21(24,25)26/h2-10H,1H3,(H2,27,28,29)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343526 ((Z)-4-(3-((5-(4-Bromophenyl)furan-2-yl)methylene)-...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C=C1c1ccccc1 |c:29| Show InChI InChI=1S/C28H18BrNO4/c29-22-10-6-19(7-11-22)26-15-14-24(34-26)16-21-17-25(18-4-2-1-3-5-18)30(27(21)31)23-12-8-20(9-13-23)28(32)33/h1-17H,(H,32,33)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50513 (4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...) Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343531 (2-chloro-5-(4-chloro-2-(3-(3-(trifluoromethyl)phen...) Show SMILES Cc1cc(Oc2ccc(Cl)cc2NC(=O)Nc2cccc(c2)C(F)(F)F)cc(c1Cl)S(O)(=O)=O Show InChI InChI=1S/C21H15Cl2F3N2O5S/c1-11-7-15(10-18(19(11)23)34(30,31)32)33-17-6-5-13(22)9-16(17)28-20(29)27-14-4-2-3-12(8-14)21(24,25)26/h2-10H,1H3,(H2,27,28,29)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343530 (5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...) Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168764 (3-[3-tert-Butylsulfanyl-5-isopropyl-1-(3-phenyl-pr...) Show SMILES CC(C)c1ccc2n(CCCc3ccccc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C29H39NO2S/c1-20(2)22-15-16-24-23(18-22)26(33-28(3,4)5)25(19-29(6,7)27(31)32)30(24)17-11-14-21-12-9-8-10-13-21/h8-10,12-13,15-16,18,20H,11,14,17,19H2,1-7H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343532 (4-(4-methyl-N-octylphenylsulfonamido)benzoic acid ...) Show SMILES CCCCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H29NO4S/c1-3-4-5-6-7-8-17-23(20-13-11-19(12-14-20)22(24)25)28(26,27)21-15-9-18(2)10-16-21/h9-16H,3-8,17H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343538 ((R)-2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimid...) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O |r| Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343532 (4-(4-methyl-N-octylphenylsulfonamido)benzoic acid ...) Show SMILES CCCCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H29NO4S/c1-3-4-5-6-7-8-17-23(20-13-11-19(12-14-20)22(24)25)28(26,27)21-15-9-18(2)10-16-21/h9-16H,3-8,17H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343525 (2-(4-bromo-3-(N-p-tolylsulfamoyl)benzamido)benzoic...) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C21H17BrN2O5S/c1-13-6-9-15(10-7-13)24-30(28,29)19-12-14(8-11-17(19)22)20(25)23-18-5-3-2-4-16(18)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343534 ((R)-2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimid...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(S[C@@H](C(O)=O)c3cccc4ccccc34)n2)c1C |r| Show InChI InChI=1S/C24H20ClN3O2S/c1-14-7-5-12-19(15(14)2)26-21-13-20(25)27-24(28-21)31-22(23(29)30)18-11-6-9-16-8-3-4-10-17(16)18/h3-13,22H,1-2H3,(H,29,30)(H,26,27,28)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343530 (5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...) Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343526 ((Z)-4-(3-((5-(4-Bromophenyl)furan-2-yl)methylene)-...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C=C1c1ccccc1 |c:29| Show InChI InChI=1S/C28H18BrNO4/c29-22-10-6-19(7-11-22)26-15-14-24(34-26)16-21-17-25(18-4-2-1-3-5-18)30(27(21)31)23-12-8-20(9-13-23)28(32)33/h1-17H,(H,32,33)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50513 (4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...) Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343532 (4-(4-methyl-N-octylphenylsulfonamido)benzoic acid ...) Show SMILES CCCCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H29NO4S/c1-3-4-5-6-7-8-17-23(20-13-11-19(12-14-20)22(24)25)28(26,27)21-15-9-18(2)10-16-21/h9-16H,3-8,17H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168778 (3-(1-Allyl-3-tert-butylsulfanyl-5-isopropyl-1H-ind...) Show SMILES CC(C)c1ccc2n(CC=C)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C23H33NO2S/c1-9-12-24-18-11-10-16(15(2)3)13-17(18)20(27-22(4,5)6)19(24)14-23(7,8)21(25)26/h9-11,13,15H,1,12,14H2,2-8H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50343529 (2-(6-(4-tert-butylbenzamido)benzo[d]thiazol-2-ylth...) Show SMILES CCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C23H26N2O3S2/c1-5-6-18(21(27)28)29-22-25-17-12-11-16(13-19(17)30-22)24-20(26)14-7-9-15(10-8-14)23(2,3)4/h7-13,18H,5-6H2,1-4H3,(H,24,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50513 (4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...) Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343529 (2-(6-(4-tert-butylbenzamido)benzo[d]thiazol-2-ylth...) Show SMILES CCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C23H26N2O3S2/c1-5-6-18(21(27)28)29-22-25-17-12-11-16(13-19(17)30-22)24-20(26)14-7-9-15(10-8-14)23(2,3)4/h7-13,18H,5-6H2,1-4H3,(H,24,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343528 (3-(9-(3-bromo-4-(4-chlorobenzyloxy)phenyl)-3,3,6,6...) Show SMILES CC1(C)CC(=O)C2=C(C1)N(CCC(O)=O)C1=C(C2c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)CC(C)(C)C1 |c:6,16| Show InChI InChI=1S/C33H35BrClNO5/c1-32(2)14-23-30(25(37)16-32)29(31-24(36(23)12-11-28(39)40)15-33(3,4)17-26(31)38)20-7-10-27(22(34)13-20)41-18-19-5-8-21(35)9-6-19/h5-10,13,29H,11-12,14-18H2,1-4H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343528 (3-(9-(3-bromo-4-(4-chlorobenzyloxy)phenyl)-3,3,6,6...) Show SMILES CC1(C)CC(=O)C2=C(C1)N(CCC(O)=O)C1=C(C2c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)CC(C)(C)C1 |c:6,16| Show InChI InChI=1S/C33H35BrClNO5/c1-32(2)14-23-30(25(37)16-32)29(31-24(36(23)12-11-28(39)40)15-33(3,4)17-26(31)38)20-7-10-27(22(34)13-20)41-18-19-5-8-21(35)9-6-19/h5-10,13,29H,11-12,14-18H2,1-4H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343529 (2-(6-(4-tert-butylbenzamido)benzo[d]thiazol-2-ylth...) Show SMILES CCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O Show InChI InChI=1S/C23H26N2O3S2/c1-5-6-18(21(27)28)29-22-25-17-12-11-16(13-19(17)30-22)24-20(26)14-7-9-15(10-8-14)23(2,3)4/h7-13,18H,5-6H2,1-4H3,(H,24,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50343525 (2-(4-bromo-3-(N-p-tolylsulfamoyl)benzamido)benzoic...) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C21H17BrN2O5S/c1-13-6-9-15(10-7-13)24-30(28,29)19-12-14(8-11-17(19)22)20(25)23-18-5-3-2-4-16(18)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair