Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'ozadali' and Initial = 'k'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50426839 (CHEMBL2323355) Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baskent University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant AChE by Dixon plot analysis				Bioorg Med Chem Lett 23: 440-3 (2012) Article DOI: 10.1016/j.bmcl.2012.11.064 BindingDB Entry DOI: 10.7270/Q2CN757F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50426839 (CHEMBL2323355) Show SMILES COc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H27N3O2/c1-27-21-9-7-20(8-10-21)16-23-24-22(26)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,16,19H,11-15,17H2,1H3,(H,24,26)/b23-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baskent University Curated by ChEMBL					Assay Description Mixed type inhibition of equine BuChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 440-3 (2012) Article DOI: 10.1016/j.bmcl.2012.11.064 BindingDB Entry DOI: 10.7270/Q2CN757F
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50426838 (CHEMBL2323356) Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baskent University Curated by ChEMBL					Assay Description Competitive inhibition of equine BuChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 440-3 (2012) Article DOI: 10.1016/j.bmcl.2012.11.064 BindingDB Entry DOI: 10.7270/Q2CN757F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50426838 (CHEMBL2323356) Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baskent University Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant AChE at 20 to 40 uM by Dixon plot analysis				Bioorg Med Chem Lett 23: 440-3 (2012) Article DOI: 10.1016/j.bmcl.2012.11.064 BindingDB Entry DOI: 10.7270/Q2CN757F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50426838 (CHEMBL2323356) Show SMILES CCOc1ccc(\C=N\NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C23H29N3O2/c1-2-28-22-10-8-21(9-11-22)17-24-25-23(27)18-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16,18H2,1H3,(H,25,27)/b24-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baskent University Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant AChE at 60 to 100 uM by Dixon plot analysis				Bioorg Med Chem Lett 23: 440-3 (2012) Article DOI: 10.1016/j.bmcl.2012.11.064 BindingDB Entry DOI: 10.7270/Q2CN757F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	6.16	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM13065 (5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432285 (CHEMBL2347668) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432279 (CHEMBL2347673) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152804 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES COc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO5S/c1-22-13-7-3-11(4-8-13)15(17-19)16(18)12-5-9-14(10-6-12)23(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432278 (CHEMBL2347674) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O4S2/c1-3-26(23,24)18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)25(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432284 (CHEMBL2347669) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432283 (CHEMBL2346675) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432282 (CHEMBL2347670) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432277 (CHEMBL2347675) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432285 (CHEMBL2347668) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432276 (CHEMBL2347676) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432284 (CHEMBL2347669) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O4S2/c1-24(20,21)14-10-8-13(9-11-14)16-15(12-6-4-3-5-7-12)18-17(19-16)25(2,22)23/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432278 (CHEMBL2347674) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O4S2/c1-3-26(23,24)18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)25(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432283 (CHEMBL2346675) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432279 (CHEMBL2347673) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432277 (CHEMBL2347675) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia 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
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432282 (CHEMBL2347670) Show SMILES CS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O4S2/c1-25(21,22)14-9-5-12(6-10-14)16-15(11-3-7-13(18)8-4-11)19-17(20-16)26(2,23)24/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432276 (CHEMBL2347676) Show SMILES CCS(=O)(=O)c1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O4S2/c1-3-27(24,25)18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)26(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as prostaglandin F2alpha level				Eur J Med Chem 77: 155-65 (2014) Article DOI: 10.1016/j.ejmech.2014.03.001 BindingDB Entry DOI: 10.7270/Q2M32X8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	600	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	650	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of ovine recombinant COX-1 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA				Bioorg Med Chem 23: 2518-28 (2015) Article DOI: 10.1016/j.bmc.2015.03.049 BindingDB Entry DOI: 10.7270/Q2862J5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	680	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immuno assay				Eur J Med Chem 57: 59-64 (2012) Article DOI: 10.1016/j.ejmech.2012.08.046 BindingDB Entry DOI: 10.7270/Q28C9XBZ
					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	870	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immunoassay				Eur J Med Chem 57: 59-64 (2012) Article DOI: 10.1016/j.ejmech.2012.08.046 BindingDB Entry DOI: 10.7270/Q28C9XBZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152806 ((2E)-2-(4-fluorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4S/c1-22(20,21)13-8-4-11(5-9-13)15(18)14(17-19)10-2-6-12(16)7-3-10/h2-9,19H,1H3/b17-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level				Eur J Med Chem 77: 155-65 (2014) Article DOI: 10.1016/j.ejmech.2014.03.001 BindingDB Entry DOI: 10.7270/Q2M32X8R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA				Bioorg Med Chem 23: 2518-28 (2015) Article DOI: 10.1016/j.bmc.2015.03.049 BindingDB Entry DOI: 10.7270/Q2862J5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM225274 (2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imi...) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C19H22N4/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)19-20-17-5-3-4-6-18(17)21-19/h3-10H,2,11-14H2,1H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM225276 (2-[4-(4-Benzylpiperazin-1-yl)phenyl]-1H-benzo[d]im...) Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccccc1 Show InChI InChI=1S/C24H24N4/c1-2-6-19(7-3-1)18-27-14-16-28(17-15-27)21-12-10-20(11-13-21)24-25-22-8-4-5-9-23(22)26-24/h1-13H,14-18H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM225280 (5-Methoxy-2-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-...) Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H26N4O/c1-30-22-11-12-23-24(17-22)27-25(26-23)20-7-9-21(10-8-20)29-15-13-28(14-16-29)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50391125 (CHEMBL2087943) Show SMILES Cc1ccc(cc1)C1SCC(=O)N1Nc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H18N2O3S2/c1-12-3-5-13(6-4-12)17-19(16(20)11-23-17)18-14-7-9-15(10-8-14)24(2,21)22/h3-10,17-18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immunoassay				Eur J Med Chem 57: 59-64 (2012) Article DOI: 10.1016/j.ejmech.2012.08.046 BindingDB Entry DOI: 10.7270/Q28C9XBZ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM225273 (2-[4-(4-Methylpiperazin-1-yl)phenyl]-1H-benzo[d]im...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)18-19-16-4-2-3-5-17(16)20-18/h2-9H,10-13H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair

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