Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'irannejad' and Initial = 'h'   

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 G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495225 (CHEMBL3103780) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					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 2 (Ovis aries (Sheep))	BDBM50495224 (CHEMBL3103781) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H14FN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495223 (CHEMBL3103779) Show SMILES COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-24-14-8-4-12(5-9-14)16-17(20-21-18(19-16)25-2)13-6-10-15(11-7-13)26(3,22)23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495222 (CHEMBL3103782) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H17N3O2S2/c1-12-4-6-13(7-5-12)16-17(20-21-18(19-16)24-2)14-8-10-15(11-9-14)25(3,22)23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495226 (CHEMBL3103783) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S2/c1-23-17-18-15(12-6-4-3-5-7-12)16(19-20-17)13-8-10-14(11-9-13)24(2,21)22/h3-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					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))	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))	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 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	1.85E+4	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 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495225 (CHEMBL3103780) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495223 (CHEMBL3103779) Show SMILES COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-24-14-8-4-12(5-9-14)16-17(20-21-18(19-16)25-2)13-6-10-15(11-7-13)26(3,22)23/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495224 (CHEMBL3103781) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H14FN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495222 (CHEMBL3103782) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H17N3O2S2/c1-12-4-6-13(7-5-12)16-17(20-21-18(19-16)24-2)14-8-10-15(11-9-14)25(3,22)23/h4-11H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50495226 (CHEMBL3103783) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S2/c1-23-17-18-15(12-6-4-3-5-7-12)16(19-20-17)13-8-10-14(11-9-13)24(2,21)22/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM152803 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES Cc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO4S/c1-11-3-5-12(6-4-11)15(17-19)16(18)13-7-9-14(10-8-13)22(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	>1.00E+5	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))	BDBM152802 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccccc1 Show InChI InChI=1S/C15H13NO4S/c1-21(19,20)13-9-7-12(8-10-13)15(17)14(16-18)11-5-3-2-4-6-11/h2-10,18H,1H3/b16-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM152802 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccccc1 Show InChI InChI=1S/C15H13NO4S/c1-21(19,20)13-9-7-12(8-10-13)15(17)14(16-18)11-5-3-2-4-6-11/h2-10,18H,1H3/b16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM152803 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES Cc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO4S/c1-11-3-5-12(6-4-11)15(17-19)16(18)13-7-9-14(10-8-13)22(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM152805 ((2E)-2-(4-chlorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClNO4S/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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM152805 ((2E)-2-(4-chlorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClNO4S/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	>1.00E+5	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.13E+5	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