Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'daniel' and Initial = 'cm'   

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 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					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	54	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX-2 in human HNSCC 1483 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured a...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50272862 ((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...) Show SMILES CSc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:8| Show InChI InChI=1S/C19H15FO2S/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	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	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
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	160	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50273065 ((E)-2-(1-(Biphenyl-4-ylmethylene)-5-fluoro-1H-inde...) Show SMILES OC(=O)CC1=C\C(=C/c2ccc(cc2)-c2ccccc2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50388954 (CHEMBL2063559) Show SMILES Fc1ccc2\C(=C\c3ccc(cc3)-c3ccccc3)C=C(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1 |t:21| Show InChI InChI=1S/C25H17F4NO3S/c26-21-10-11-22-19(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)13-20(23(22)15-21)14-24(31)30-34(32,33)25(27,28)29/h1-13,15H,14H2,(H,30,31)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50388954 (CHEMBL2063559) Show SMILES Fc1ccc2\C(=C\c3ccc(cc3)-c3ccccc3)C=C(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1 |t:21| Show InChI InChI=1S/C25H17F4NO3S/c26-21-10-11-22-19(12-16-6-8-18(9-7-16)17-4-2-1-3-5-17)13-20(23(22)15-21)14-24(31)30-34(32,33)25(27,28)29/h1-13,15H,14H2,(H,30,31)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50273065 ((E)-2-(1-(Biphenyl-4-ylmethylene)-5-fluoro-1H-inde...) Show SMILES OC(=O)CC1=C\C(=C/c2ccc(cc2)-c2ccccc2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					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	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50388956 (CHEMBL2063543) Show SMILES CCOC(=O)CC1=C\C(=C/c2ccc(cc2)-c2ccccc2)c2ccc(F)cc12 |t:6| Show InChI InChI=1S/C26H21FO2/c1-2-29-26(28)16-22-15-21(24-13-12-23(27)17-25(22)24)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3/b21-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50272862 ((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...) Show SMILES CSc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:8| Show InChI InChI=1S/C19H15FO2S/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50272862 ((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...) Show SMILES CSc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:8| Show InChI InChI=1S/C19H15FO2S/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50388955 (CHEMBL2063547) Show SMILES CC(C)(C(O)=O)C1=C\C(=C/c2ccc(cc2)-c2ccccc2)c2ccc(F)cc12 |t:6| Show InChI InChI=1S/C26H21FO2/c1-26(2,25(28)29)24-15-20(22-13-12-21(27)16-23(22)24)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,28,29)/b20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50273065 ((E)-2-(1-(Biphenyl-4-ylmethylene)-5-fluoro-1H-inde...) Show SMILES OC(=O)CC1=C\C(=C/c2ccc(cc2)-c2ccccc2)c2ccc(F)cc12 |t:4| Show InChI InChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-...				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272862 ((E)-2'-des-methyl sulindac sulfide | 2-desmethylsu...) Show SMILES CSc1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:8| Show InChI InChI=1S/C19H15FO2S/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Institute of Chemical Biology Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 55: 2287-300 (2012) Article DOI: 10.1021/jm201528b BindingDB Entry DOI: 10.7270/Q2WW7JQB
					More data for this Ligand-Target Pair