Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'chini' and Initial = 'mg'   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50405790 (CHEMBL5284121) Show SMILES CCNc1ccc(cc1[N+]([O-])=O)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C14H18N6O2/c1-3-9-12(13(15)19-14(16)18-9)8-5-6-10(17-4-2)11(7-8)20(21)22/h5-7,17H,3-4H2,1-2H3,(H4,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency against carbachol induced inhibition of electrically stimulated guinea pig atria Muscarinic acetylcholine receptor				Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50405760 (CHEMBL5284133) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C39H68N4O2/c1-44-38-26-16-14-24-36(38)34-42-32-22-12-10-20-30-40-28-18-8-6-4-3-5-7-9-19-29-41-31-21-11-13-23-33-43-35-37-25-15-17-27-39(37)45-2/h14-17,24-27,40-43H,3-13,18-23,28-35H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency against muscarinic receptors was assed by antagonism of carbachol induced inhibition of electrically stimulated guinea pig atria				Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339570 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-6-4-5-18(13-19)16-9-11-17(12-10-16)21-14-24(23-22-21)15-26-20-7-2-1-3-8-20/h1-14,25H,15H2	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	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay				J Med Chem 52: 2776-85 (2009) Article DOI: 10.1021/jm801529c BindingDB Entry DOI: 10.7270/Q2D221F1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339571 (4-{4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C32H23N3O5S/c36-32(37)25-16-18-27(19-17-25)41(38,39)35-20-30(33-34-35)24-14-12-23(13-15-24)28-9-3-2-7-26(28)21-40-31-11-5-8-22-6-1-4-10-29(22)31/h1-20H,21H2,(H,36,37)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(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	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50539779 (CHEMBL4647475) Show SMILES OCc1cccc(c1)-c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 Show InChI InChI=1S/C21H15BrN2O2S/c22-17-7-2-1-6-16(17)20(26)24-21-23-18-9-8-15(11-19(18)27-21)14-5-3-4-13(10-14)12-25/h1-11,25H,12H2,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins foll...				ACS Med Chem Lett 11: 783-789 (2020) Article DOI: 10.1021/acsmedchemlett.9b00618 BindingDB Entry DOI: 10.7270/Q2Z32361
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339571 (4-{4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C32H23N3O5S/c36-32(37)25-16-18-27(19-17-25)41(38,39)35-20-30(33-34-35)24-14-12-23(13-15-24)28-9-3-2-7-26(28)21-40-31-11-5-8-22-6-1-4-10-29(22)31/h1-20H,21H2,(H,36,37)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339572 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21-14-24(23-22-21)15-26-20-4-2-1-3-5-20/h1-14,25H,15H2	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	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(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	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500813 (CHEMBL1087690) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C26H28O6/c1-18(2)13-14-32-24-12-8-20(16-26(24)31-4)6-10-22(28)17-21(27)9-5-19-7-11-23(29)25(15-19)30-3/h5-13,15-16,29H,14,17H2,1-4H3/b9-5+,10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500810 (CHEMBL3758791) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C31H36O6/c1-22(2)7-6-8-23(3)17-18-37-29-16-12-25(20-31(29)36-5)10-14-27(33)21-26(32)13-9-24-11-15-28(34)30(19-24)35-4/h7,9-17,19-20,34H,6,8,18,21H2,1-5H3/b13-9+,14-10+,23-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50480332 (CHEMBL519853) Show SMILES ONC(=O)CCCCCC(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H39N3O4/c33-27(31-36)19-11-4-12-20-28(34)32(22-24-15-7-2-8-16-24)26(21-23-13-5-1-6-14-23)29(35)30-25-17-9-3-10-18-25/h1-2,5-8,13-16,25-26,36H,3-4,9-12,17-22H2,(H,30,35)(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay				J Med Chem 52: 2776-85 (2009) Article DOI: 10.1021/jm801529c BindingDB Entry DOI: 10.7270/Q2D221F1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386163 (CHEMBL2042367) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C29H19ClF3N3O5S/c30-25-14-11-22(29(31,32)33)15-27(25)41-17-21-3-1-2-4-24(21)18-5-7-19(8-6-18)26-16-36(35-34-26)42(39,40)23-12-9-20(10-13-23)28(37)38/h1-16H,17H2,(H,37,38)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50539778 (CHEMBL4636106) Show SMILES OCc1cccc(c1)-c1ccc2nc(NC(=O)c3ccc(F)cc3Cl)sc2c1 Show InChI InChI=1S/C21H14ClFN2O2S/c22-17-10-15(23)5-6-16(17)20(27)25-21-24-18-7-4-14(9-19(18)28-21)13-3-1-2-12(8-13)11-26/h1-10,26H,11H2,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins foll...				ACS Med Chem Lett 11: 783-789 (2020) Article DOI: 10.1021/acsmedchemlett.9b00618 BindingDB Entry DOI: 10.7270/Q2Z32361
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(H,38,39)	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	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50539781 (CHEMBL4647634) Show SMILES NC(=O)c1cccc(c1)-c1ccc2sc(NC(=O)c3ccc(F)cc3C(F)(F)F)nc2c1 Show InChI InChI=1S/C22H13F4N3O2S/c23-14-5-6-15(16(10-14)22(24,25)26)20(31)29-21-28-17-9-12(4-7-18(17)32-21)11-2-1-3-13(8-11)19(27)30/h1-10H,(H2,27,30)(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins foll...				ACS Med Chem Lett 11: 783-789 (2020) Article DOI: 10.1021/acsmedchemlett.9b00618 BindingDB Entry DOI: 10.7270/Q2Z32361
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339573 (4'-[1-(2-o-Tolyl-ethyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccc(N)cc1 Show InChI InChI=1S/C23H22N4/c1-17-4-2-3-5-18(17)14-15-27-16-23(25-26-27)21-8-6-19(7-9-21)20-10-12-22(24)13-11-20/h2-13,16H,14-15,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50405791 (CHEMBL5285589) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCNCC2)c(c1)N=[N+]=[N-] Show InChI InChI=1S/C16H21N9/c1-2-11-14(15(17)22-16(18)21-11)10-3-4-13(12(9-10)23-24-19)25-7-5-20-6-8-25/h3-4,9,20H,2,5-8H2,1H3,(H4,17,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency against carbachol induced inhibition of electrically stimulated guinea pig atria Muscarinic acetylcholine receptor				Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386163 (CHEMBL2042367) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C29H19ClF3N3O5S/c30-25-14-11-22(29(31,32)33)15-27(25)41-17-21-3-1-2-4-24(21)18-5-7-19(8-6-18)26-16-36(35-34-26)42(39,40)23-12-9-20(10-13-23)28(37)38/h1-16H,17H2,(H,37,38)	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	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50577910 (CHEMBL4866994) Show SMILES Oc1c(F)c(F)cc(-c2nc(no2)-c2ccc(cc2)-c2ccsc2)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-LO in A23187/AA-stimulated human intact neutrophils assessed as reduction in LTB4/5-HETE formation measured after 20 mins by RP-HPLC ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113693 BindingDB Entry DOI: 10.7270/Q2XD15GV
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500817 (CHEMBL3758432) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C41H52O6/c1-29(2)19-23-41(24-20-30(3)4,39(42)17-13-33-11-15-35(37(27-33)44-9)46-25-21-31(5)6)40(43)18-14-34-12-16-36(38(28-34)45-10)47-26-22-32(7)8/h11-22,27-28H,23-26H2,1-10H3/b17-13+,18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500816 (CHEMBL3758656) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-37(2)15-12-18-40(7)21-26-45(46(52)27-22-43-24-29-48(50(35-43)54-10)56-33-31-41(8)19-13-16-38(3)4)47(53)28-23-44-25-30-49(51(36-44)55-11)57-34-32-42(9)20-14-17-39(5)6/h15-17,21-25,27-32,35-36,45H,12-14,18-20,26,33-34H2,1-11H3/b27-22+,28-23+,40-21+,41-31+,42-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500809 (CHEMBL3759529) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C36H44O6/c1-26(2)9-7-10-27(3)11-8-12-28(4)21-22-42-34-20-16-30(24-36(34)41-6)14-18-32(38)25-31(37)17-13-29-15-19-33(39)35(23-29)40-5/h9,11,13-21,23-24,39H,7-8,10,12,22,25H2,1-6H3/b17-13+,18-14+,27-11+,28-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500815 (CHEMBL3759699) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C61H84O6/c1-45(2)19-15-23-49(9)35-39-61(40-36-50(10)24-16-20-46(3)4,59(62)33-29-53-27-31-55(57(43-53)64-13)66-41-37-51(11)25-17-21-47(5)6)60(63)34-30-54-28-32-56(58(44-54)65-14)67-42-38-52(12)26-18-22-48(7)8/h19-22,27-38,43-44H,15-18,23-26,39-42H2,1-14H3/b33-29+,34-30+,49-35+,50-36+,51-37+,52-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500812 (CHEMBL3758253) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C41H52O6/c1-30(2)11-9-13-32(5)23-25-46-38-21-17-34(27-40(38)44-7)15-19-36(42)29-37(43)20-16-35-18-22-39(41(28-35)45-8)47-26-24-33(6)14-10-12-31(3)4/h11-12,15-24,27-28H,9-10,13-14,25-26,29H2,1-8H3/b19-15+,20-16+,32-23+,33-24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500814 (CHEMBL1087807) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H36O6/c1-22(2)15-17-36-28-13-9-24(19-30(28)34-5)7-11-26(32)21-27(33)12-8-25-10-14-29(31(20-25)35-6)37-18-16-23(3)4/h7-16,19-20H,17-18,21H2,1-6H3/b11-7+,12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500811 (CHEMBL3759749) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C51H68O6/c1-38(2)15-11-17-40(5)19-13-21-42(7)31-33-56-48-29-25-44(35-50(48)54-9)23-27-46(52)37-47(53)28-24-45-26-30-49(51(36-45)55-10)57-34-32-43(8)22-14-20-41(6)18-12-16-39(3)4/h15-16,19-20,23-32,35-36H,11-14,17-18,21-22,33-34,37H2,1-10H3/b27-23+,28-24+,40-19+,41-20+,42-31+,43-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(H,38,39)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50500808 (CHEMBL3758528) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C36H44O6/c1-25(2)9-14-30(31(37)15-10-28-12-17-33(35(23-28)39-7)41-21-19-26(3)4)32(38)16-11-29-13-18-34(36(24-29)40-8)42-22-20-27(5)6/h9-13,15-20,23-24,30H,14,21-22H2,1-8H3/b15-10+,16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by...				J Nat Prod 78: 2867-79 (2015) Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50539780 (CHEMBL4643829) Show SMILES Cc1cc(C)c(o1)C(=O)Nc1nc2ccc(cc2s1)-c1cccc(CO)c1 Show InChI InChI=1S/C21H18N2O3S/c1-12-8-13(2)26-19(12)20(25)23-21-22-17-7-6-16(10-18(17)27-21)15-5-3-4-14(9-15)11-24/h3-10,24H,11H2,1-2H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins foll...				ACS Med Chem Lett 11: 783-789 (2020) Article DOI: 10.1021/acsmedchemlett.9b00618 BindingDB Entry DOI: 10.7270/Q2Z32361
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50405761 (CHEMBL5274544) Show SMILES Clc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C34H56Cl2N4/c35-33-19-15-17-31(27-33)29-39-25-13-7-5-11-23-37-21-9-3-1-2-4-10-22-38-24-12-6-8-14-26-40-30-32-18-16-20-34(36)28-32/h15-20,27-28,37-40H,1-14,21-26,29-30H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency against carbachol induced inhibition of electrically stimulated guinea pig atria Muscarinic acetylcholine receptor				Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339575 (4-(4-Biphenyl-4-yl-[1,2,3]triazol-1-ylmethyl)-3-ni...) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O4/c27-22(28)18-10-11-19(21(12-18)26(29)30)13-25-14-20(23-24-25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,27,28)	PDB 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 Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50577910 (CHEMBL4866994) Show SMILES Oc1c(F)c(F)cc(-c2nc(no2)-c2ccc(cc2)-c2ccsc2)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mPGES-1 obtained from IL-beta stimulated human A549 cells microsomes assessed as residual activity by measuring conversion of PGH2 to P...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113693 BindingDB Entry DOI: 10.7270/Q2XD15GV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50480333 (CHEMBL503268) Show SMILES ONC(=O)CCCCCCC(=O)N(Cc1ccccc1)C(Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C38H43N3O4/c42-36(40-45)20-12-1-2-13-21-37(43)41(29-32-16-8-4-9-17-32)35(38(44)39-27-26-30-14-6-3-7-15-30)28-31-22-24-34(25-23-31)33-18-10-5-11-19-33/h3-11,14-19,22-25,35,45H,1-2,12-13,20-21,26-29H2,(H,39,44)(H,40,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay				J Med Chem 52: 2776-85 (2009) Article DOI: 10.1021/jm801529c BindingDB Entry DOI: 10.7270/Q2D221F1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386153 (CHEMBL2042362) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4S/c25-20(26)15-7-8-16(18(10-15)24(27)28)11-23-12-17(21-22-23)13-3-5-14(6-4-13)19-2-1-9-29-19/h1-10,12H,11H2,(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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339576 (4-(5-Benzyl-3-phenylsulfanylmethyl-3H-[1,2,3]triaz...) Show SMILES O=Cc1ccc(cc1)-c1c(Cc2ccccc2)nnn1CSc1ccccc1 Show InChI InChI=1S/C23H19N3OS/c27-16-19-11-13-20(14-12-19)23-22(15-18-7-3-1-4-8-18)24-25-26(23)17-28-21-9-5-2-6-10-21/h1-14,16H,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386159 (CHEMBL2042356) Show SMILES CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C34H28N6O6S/c1-38(2)30-15-11-26-18-31(16-12-25(26)17-30)47(45,46)36-29-13-9-23(10-14-29)22-3-5-24(6-4-22)32-21-39(37-35-32)20-28-8-7-27(34(41)42)19-33(28)40(43)44/h3-19,21,36H,20H2,1-2H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339575 (4-(4-Biphenyl-4-yl-[1,2,3]triazol-1-ylmethyl)-3-ni...) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O4/c27-22(28)18-10-11-19(21(12-18)26(29)30)13-25-14-20(23-24-25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,27,28)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair

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