Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'uddin' and Initial = 'mj'   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533570 (CHEMBL4435662 | US11459295, Compound LM5750A 8b) Show SMILES CC[C@@H](C(O)=O)c1ccc2cc(OC)ccc2c1 |r| Show InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preinc...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533570 (CHEMBL4435662 | US11459295, Compound LM5750A 8b) Show SMILES CC[C@@H](C(O)=O)c1ccc2cc(OC)ccc2c1 |r| Show InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C3 using assessed as reduction in NADPH-dependent reduction of delat4-androsten-3,17-dione preincubat...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity to wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50491628 (CHEMBL2386352) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(c(CC(O)=O)c2c1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3NO4/c1-28-12-6-7-15-13(8-12)14(9-16(25)26)17(19(21,22)23)24(15)18(27)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity to wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50143476 (4-(1-Benzhydrylidene-pentyl)-benzenesulfonic acid ...) Show SMILES [#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6] Show InChI InChI=1S/C25H26O3S/c1-3-4-15-24(20-16-18-23(19-17-20)29(26,27)28-2)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine				Bioorg Med Chem Lett 14: 1953-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.075 BindingDB Entry DOI: 10.7270/Q24F1Q46
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50150726 (3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C25H20O5S/c1-29-20-12-8-18(9-13-20)23-16-22(17-6-4-3-5-7-17)24(25(26)30-23)19-10-14-21(15-11-19)31(2,27)28/h3-16H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 2				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50561580 (CHEMBL4777544) Show SMILES COc1cccc2n(Cc3ccc(Cl)cc3)c3c(CCN=C3C)c12 |c:21| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse COX2 using 2-arachidonylglycerol as substrate preincubated for 3 mins followed by substrate addition and measured for 30 sec by L...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00555 BindingDB Entry DOI: 10.7270/Q2N58R3Q
					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	27	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of wild type ovine COX1 expressed in ram seminal vesicles using [1-14C]-arachidonic acid as substrate incubated for 17 mins at 25 degC fol...				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
TBA Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse LPS-stimulated RAW264.7 cells after 30 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse purified COX2 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50152545 (1-[(E)-1-ethyl-2-(4-methylphenyl)vinyl]-4-(methyls...) Show SMILES CC\C(=C/c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H20O2S/c1-4-16(13-15-7-5-14(2)6-8-15)17-9-11-18(12-10-17)21(3,19)20/h5-13H,4H2,1-3H3/b16-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 4911-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.027 BindingDB Entry DOI: 10.7270/Q2348JVS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50150735 (3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1cc(-c2cccnc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C24H19NO5S/c1-29-19-9-5-16(6-10-19)22-14-21(18-4-3-13-25-15-18)23(24(26)30-22)17-7-11-20(12-8-17)31(2,27)28/h3-15H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 2				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50143475 (4-(1-Benzhydrylidene-heptyl)-benzenesulfonic acid ...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6] Show InChI InChI=1S/C27H30O3S/c1-3-4-5-12-17-26(22-18-20-25(21-19-22)31(28,29)30-2)27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-21H,3-5,12,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine				Bioorg Med Chem Lett 14: 1953-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.075 BindingDB Entry DOI: 10.7270/Q24F1Q46
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50158187 (1-fluoro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(F)cc1)\c1ccccc1 Show InChI InChI=1S/C21H17FO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50158187 (1-fluoro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(F)cc1)\c1ccccc1 Show InChI InChI=1S/C21H17FO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine					Assay Description We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...				ACS Chem Biol 11: 3052-3060 (2016) Article DOI: 10.1021/acschembio.6b00560 BindingDB Entry DOI: 10.7270/Q23777JP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50336964 (4-[5-(3-Iodophenyl)-3-(trifluoromethyl)-1H-pyrazol...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(I)c1)C(F)(F)F Show InChI InChI=1S/C16H11F3IN3O2S/c17-16(18,19)15-9-14(10-2-1-3-11(20)8-10)23(22-15)12-4-6-13(7-5-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse LPS-stimulated RAW264.7 cells after 30 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50561529 (CHEMBL4792985) Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)NCCCCNC(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)C([O-])=O)cc1-c1ccc(C)cc1 |c:28,35| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX-1 in human OVCAR3 cells assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 30 ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00280 BindingDB Entry DOI: 10.7270/Q21C21J2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50336971 (5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse purified COX2 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50150734 (6-(4-Ethoxy-phenyl)-3-(4-methanesulfonyl-phenyl)-4...) Show SMILES CCOc1ccc(cc1)-c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C26H22O5S/c1-3-30-21-13-9-19(10-14-21)24-17-23(18-7-5-4-6-8-18)25(26(27)31-24)20-11-15-22(16-12-20)32(2,28)29/h4-17H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 2				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine					Assay Description Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...				ACS Chem Biol 11: 3052-3060 (2016) Article DOI: 10.1021/acschembio.6b00560 BindingDB Entry DOI: 10.7270/Q23777JP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533571 (CHEMBL1618254 | US11459295, Compound R-Naproxen (1...) Show SMILES COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	50	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 20: 1787-91 (2010) Article DOI: 10.1016/j.bmcl.2010.01.009 BindingDB Entry DOI: 10.7270/Q2J966H5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533573 (CHEMBL4437291 | US11459295, Compound (R) 4a) Show SMILES CSc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50156244 (Acetic acid 4-{1-[1-(4-methanesulfonyl-phenyl)-1-p...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(cc1)S(C)(=O)=O)c1ccc(OC(C)=O)cc1 Show InChI InChI=1S/C25H24O4S/c1-4-24(19-10-14-22(15-11-19)29-18(2)26)25(20-8-6-5-7-9-20)21-12-16-23(17-13-21)30(3,27)28/h5-17H,4H2,1-3H3/b25-24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibition of ovine prostaglandin G/H synthase 2				J Med Chem 47: 6108-11 (2004) Article DOI: 10.1021/jm049523y BindingDB Entry DOI: 10.7270/Q2MG7P0Z
					More data for this Ligand-Target Pair
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	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine				Bioorg Med Chem Lett 14: 1953-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.075 BindingDB Entry DOI: 10.7270/Q24F1Q46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533576 (CHEMBL4551048 | US11459295, Compound LM5752(+-) 4) Show SMILES CSc1ccc2cc(ccc2c1)C(C)C(O)=O Show InChI InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50339185 ((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of COX1 in ram seminal vesicles using arachidonic acid as substrate assessed as reduction in PGH2 conversion to PGG2 by measuring TMPD oxi...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533577 (CHEMBL1236131 | US11459295, Compound (S) 4b) Show SMILES CSc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r| Show InChI InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50150751 (6-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(oc(=O)c1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H17FO4S/c1-30(27,28)20-13-9-16(10-14-20)21-15-22(17-7-11-19(25)12-8-17)29-24(26)23(21)18-5-3-2-4-6-18/h2-15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 2				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
					More data for this Ligand-Target Pair
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 14: 4911-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.027 BindingDB Entry DOI: 10.7270/Q2348JVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibition of ovine prostaglandin G/H synthase 2				J Med Chem 47: 6108-11 (2004) Article DOI: 10.1021/jm049523y BindingDB Entry DOI: 10.7270/Q2MG7P0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 2				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50336964 (4-[5-(3-Iodophenyl)-3-(trifluoromethyl)-1H-pyrazol...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(I)c1)C(F)(F)F Show InChI InChI=1S/C16H11F3IN3O2S/c17-16(18,19)15-9-14(10-2-1-3-11(20)8-10)23(22-15)12-4-6-13(7-5-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Inhibition of mouse purified COX2 after 20 mins				ACS Med Chem Lett 2: 160-164 (2011) Article DOI: 10.1021/ml100232q BindingDB Entry DOI: 10.7270/Q25T3MG9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033168 (CHEMBL3357106) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(I)cc1 |t:9| Show InChI InChI=1S/C17H13IO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 [18-604,R106Q] (Mus musculus (Mouse))	BDBM50312668 (CHEMBL1076638 | Chemocoxib A (12) | N-{(Succinylpo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCNC(=O)CCC(=O)O[C@H]3[C@@H]4COC(=O)[C@H]4[C@@H](c4cc(OC)c(OC)c(OC)c4)c4cc5OCOc5cc34)c2c1 |r| Show InChI InChI=1S/C49H50ClN3O13/c1-26-31(32-20-30(59-2)12-13-36(32)53(26)48(57)27-8-10-29(50)11-9-27)23-42(55)52-17-7-6-16-51-41(54)14-15-43(56)66-46-34-22-38-37(64-25-65-38)21-33(34)44(45-35(46)24-63-49(45)58)28-18-39(60-3)47(62-5)40(19-28)61-4/h8-13,18-22,35,44-46H,6-7,14-17,23-25H2,1-5H3,(H,51,54)(H,52,55)/t35-,44+,45-,46-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine					Assay Description We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...				ACS Chem Biol 11: 3052-3060 (2016) Article DOI: 10.1021/acschembio.6b00560 BindingDB Entry DOI: 10.7270/Q23777JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50561529 (CHEMBL4792985) Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)NCCCCNC(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)C([O-])=O)cc1-c1ccc(C)cc1 |c:28,35| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ovine COX-1 assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 20 mins followed by...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00280 BindingDB Entry DOI: 10.7270/Q21C21J2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533572 (CHEMBL4457933 | US11459295, Compound LM5753(+-) 3) Show SMILES CCOc1ccc2cc(ccc2c1)C(C)C(O)=O Show InChI InChI=1S/C15H16O3/c1-3-18-14-7-6-12-8-11(10(2)15(16)17)4-5-13(12)9-14/h4-10H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM205489 (Cytotoxic conjugates, 6) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C3=C(C)CCCC3(C)C)c2c1 |c:39| Show InChI InChI=1S/C41H48ClN3O4/c1-27(13-19-36-29(3)12-9-21-41(36,5)6)10-8-11-28(2)24-38(46)43-22-23-44-39(47)26-34-30(4)45(37-20-18-33(49-7)25-35(34)37)40(48)31-14-16-32(42)17-15-31/h8,10-11,13-20,24-25H,9,12,21-23,26H2,1-7H3,(H,43,46)(H,44,47)/b11-8+,19-13+,27-10+,28-24+	PDB UniProtKB/SwissProt 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
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine					Assay Description Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...				ACS Chem Biol 11: 3052-3060 (2016) Article DOI: 10.1021/acschembio.6b00560 BindingDB Entry DOI: 10.7270/Q23777JP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533570 (CHEMBL4435662 | US11459295, Compound LM5750A 8b) Show SMILES CC[C@@H](C(O)=O)c1ccc2cc(OC)ccc2c1 |r| Show InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50158193 (1-chloro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(Cl)cc1)\c1ccccc1 Show InChI InChI=1S/C21H17ClO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50158193 (1-chloro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(Cl)cc1)\c1ccccc1 Show InChI InChI=1S/C21H17ClO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Cyclooxygenase-2				Bioorg Med Chem Lett 15: 439-42 (2004) Article DOI: 10.1016/j.bmcl.2004.10.050 BindingDB Entry DOI: 10.7270/Q2GF0T0C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033167 (CHEMBL3357105) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Br)cc1 |t:9| Show InChI InChI=1S/C17H13BrO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533574 (CHEMBL4437071 | US11459295, Compound LM5750(+-) 8) Show SMILES CCC(C(O)=O)c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533568 (CHEMBL4466610 | US11459295, Compound LM5750B 8a) Show SMILES CC[C@H](C(O)=O)c1ccc2cc(OC)ccc2c1 |r| Show InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50533569 (CHEMBL4446810 | US11459295, Compound LM5751(+-) 2) Show SMILES CCc1ccc2cc(ccc2c1)C(C)C(O)=O Show InChI InChI=1S/C15H16O2/c1-3-11-4-5-14-9-12(10(2)15(16)17)6-7-13(14)8-11/h4-10H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...				J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 BindingDB Entry DOI: 10.7270/Q21Z47WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of wild type mouse COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate incubated for 17 mins at 25 degC followed by...				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair				3D Structure (crystal)

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