Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50033041   

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 (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	150	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (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 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	180	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338666 (5,6,7-trihydroxy-2-methyl-4H-chromen-4-one | CHEMB...) Show SMILES Cc1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3	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	8.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338658 (5-hydroxy-2-methyl-6,7-bis[(3-methylbut-2-en-1-yl)...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C20H24O5/c1-12(2)6-8-23-17-11-16-18(15(21)10-14(5)25-16)19(22)20(17)24-9-7-13(3)4/h6-7,10-11,22H,8-9H2,1-5H3	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338657 (5-hydroxy-2-methyl-6,7-bis(prop-2-en-1-yloxy)-4H-c...) Show SMILES Cc1cc(=O)c2c(O)c(OCC=C)c(OCC=C)cc2o1 Show InChI InChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3	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	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338666 (5,6,7-trihydroxy-2-methyl-4H-chromen-4-one | CHEMB...) Show SMILES Cc1cc(=O)c2c(O)c(O)c(O)cc2o1 Show InChI InChI=1S/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3	PDB UniProtKB/SwissProt 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
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338665 (5,6-dihydroxy-7-methoxy-2-methyl-4H-chromen-4-one ...) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1O Show InChI InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,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	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338668 (5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl...) Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C16H18O5/c1-9(2)5-6-20-16-13(19-4)8-12-14(15(16)18)11(17)7-10(3)21-12/h5,7-8,18H,6H2,1-4H3	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	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338658 (5-hydroxy-2-methyl-6,7-bis[(3-methylbut-2-en-1-yl)...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C20H24O5/c1-12(2)6-8-23-17-11-16-18(15(21)10-14(5)25-16)19(22)20(17)24-9-7-13(3)4/h6-7,10-11,22H,8-9H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338664 (6,7-dimethoxy-2-methyl-5-[(3-methylbut-2-en-1-yl)o...) Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C17H20O5/c1-10(2)6-7-21-17-15-12(18)8-11(3)22-13(15)9-14(19-4)16(17)20-5/h6,8-9H,7H2,1-5H3	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	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338662 (5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one | CH...) Show SMILES COc1cc(O)c2c(c1)oc(C)cc2=O Show InChI InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338667 (5-hydroxy-7-methoxy-2-methyl-6-(prop-2-en-1-yloxy)...) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C Show InChI InChI=1S/C14H14O5/c1-4-5-18-14-11(17-3)7-10-12(13(14)16)9(15)6-8(2)19-10/h4,6-7,16H,1,5H2,2-3H3	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338668 (5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl...) Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C16H18O5/c1-9(2)5-6-20-16-13(19-4)8-12-14(15(16)18)11(17)7-10(3)21-12/h5,7-8,18H,6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338661 (CHEMBL1684136 | Stellatin) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OC Show InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3	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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338665 (5,6-dihydroxy-7-methoxy-2-methyl-4H-chromen-4-one ...) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1O Show InChI InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338662 (5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one | CH...) Show SMILES COc1cc(O)c2c(c1)oc(C)cc2=O Show InChI InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338663 (6,7-dimethoxy-2-methyl-5-(prop-2-en-1-yloxy)-4H-ch...) Show SMILES COc1cc2oc(C)cc(=O)c2c(OCC=C)c1OC Show InChI InChI=1S/C15H16O5/c1-5-6-19-15-13-10(16)7-9(2)20-11(13)8-12(17-3)14(15)18-4/h5,7-8H,1,6H2,2-4H3	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	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338657 (5-hydroxy-2-methyl-6,7-bis(prop-2-en-1-yloxy)-4H-c...) Show SMILES Cc1cc(=O)c2c(O)c(OCC=C)c(OCC=C)cc2o1 Show InChI InChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338661 (CHEMBL1684136 | Stellatin) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OC Show InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338664 (6,7-dimethoxy-2-methyl-5-[(3-methylbut-2-en-1-yl)o...) Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C17H20O5/c1-10(2)6-7-21-17-15-12(18)8-11(3)22-13(15)9-14(19-4)16(17)20-5/h6,8-9H,7H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338660 (8-bromo-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrome...) Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Br)c1OC Show InChI InChI=1S/C12H11BrO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338667 (5-hydroxy-7-methoxy-2-methyl-6-(prop-2-en-1-yloxy)...) Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C Show InChI InChI=1S/C14H14O5/c1-4-5-18-14-11(17-3)7-10-12(13(14)16)9(15)6-8(2)19-10/h4,6-7,16H,1,5H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338659 (8-chloro-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrom...) Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Cl)c1OC Show InChI InChI=1S/C12H11ClO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338660 (8-bromo-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrome...) Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Br)c1OC Show InChI InChI=1S/C12H11BrO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50338663 (6,7-dimethoxy-2-methyl-5-(prop-2-en-1-yloxy)-4H-ch...) Show SMILES COc1cc2oc(C)cc(=O)c2c(OCC=C)c1OC Show InChI InChI=1S/C15H16O5/c1-5-6-19-15-13-10(16)7-9(2)20-11(13)8-12(17-3)14(15)18-4/h5,7-8H,1,6H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50338659 (8-chloro-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrom...) Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Cl)c1OC Show InChI InChI=1S/C12H11ClO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 21: 1612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.116 BindingDB Entry DOI: 10.7270/Q2CN746K
					More data for this Ligand-Target Pair