Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'letts' and Initial = 'lg'   

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))	BDBM50136106 (4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					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
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136109 (5-Cyclohexylidenemethyl-6-(4-methanesulfonyl-pheny...) Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H22O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h7-13H,2-6,14H2,1H3	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	70	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2) by enzyme Assay				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136108 (5-Cycloheptylidenemethyl-6-(4-methanesulfonyl-phen...) Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C22H24O4S/c1-27(23,24)19-10-8-17(9-11-19)20-14-22-21(25-15-26-22)13-18(20)12-16-6-4-2-3-5-7-16/h8-14H,2-7,15H2,1H3	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	200	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50168167 (CHEMBL364966 | [3-(4-Methanesulfonyl-phenyl)-5-tri...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1C(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C20H14F3NO3S/c1-28(26,27)16-9-7-13(8-10-16)17-11-15(20(21,22)23)12-24-18(17)19(25)14-5-3-2-4-6-14/h2-12H,1H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 48: 3930-4 (2005) Article DOI: 10.1021/jm0582064 BindingDB Entry DOI: 10.7270/Q28C9VSZ
					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	300	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 14: 6049-52 (2004) Article DOI: 10.1016/j.bmcl.2004.09.073 BindingDB Entry DOI: 10.7270/Q2Q81CJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	300	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	300	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50144866 (1-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-3-nitroo...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(CO[N+]([O-])=O)nn1C1CCCCC1 Show InChI InChI=1S/C17H21N3O5S/c1-26(23,24)16-9-7-13(8-10-16)17-11-14(12-25-20(21)22)18-19(17)15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50024275 (CHEMBL2111539) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(\C=C/CC[N+]([O-])=O)nn1C1CCCCC1 Show InChI InChI=1S/C20H25N3O4S/c1-28(26,27)19-12-10-16(11-13-19)20-15-17(7-5-6-14-22(24)25)21-23(20)18-8-3-2-4-9-18/h5,7,10-13,15,18H,2-4,6,8-9,14H2,1H3/b7-5-	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	500	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair
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	500	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					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	500	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 48: 3930-4 (2005) Article DOI: 10.1021/jm0582064 BindingDB Entry DOI: 10.7270/Q28C9VSZ
					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	700	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226637 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NOCCCO)c2c1 Show InChI InChI=1S/C22H23ClN2O5/c1-14-18(13-21(27)24-30-11-3-10-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226637 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NOCCCO)c2c1 Show InChI InChI=1S/C22H23ClN2O5/c1-14-18(13-21(27)24-30-11-3-10-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136107 ((3-Fluoro-phenyl)-[6-(4-methanesulfonyl-phenyl)-be...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1C(=O)c1cccc(F)c1 Show InChI InChI=1S/C21H15FO5S/c1-28(24,25)16-7-5-13(6-8-16)17-10-19-20(27-12-26-19)11-18(17)21(23)14-3-2-4-15(22)9-14/h2-11H,12H2,1H3	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226646 (4-chlorophenyl 3-(2-{[(3-hydroxypropyl)sulfonyl]am...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO)c2c1 Show InChI InChI=1S/C22H25ClN2O5S/c1-15-19(10-11-24-31(28,29)13-3-12-26)20-14-18(30-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24,26H,3,10-13H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226646 (4-chlorophenyl 3-(2-{[(3-hydroxypropyl)sulfonyl]am...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO)c2c1 Show InChI InChI=1S/C22H25ClN2O5S/c1-15-19(10-11-24-31(28,29)13-3-12-26)20-14-18(30-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24,26H,3,10-13H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226643 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C22H22ClN3O6/c1-14-18(13-21(27)24-10-3-11-32-26(29)30)19-12-17(31-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,27)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50112552 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-15-19(14-22(28)25-11-3-4-12-27)20-13-18(30-2)9-10-21(20)26(15)23(29)16-5-7-17(24)8-6-16/h5-10,13,27H,3-4,11-12,14H2,1-2H3,(H,25,28)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 48: 3930-4 (2005) Article DOI: 10.1021/jm0582064 BindingDB Entry DOI: 10.7270/Q28C9VSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156456 (5-(4-Methanesulfonyl-phenyl)-3-(2-methoxy-tetrahyd...) Show SMILES COC1(CCCO1)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C22H24N2O4S/c1-16-5-9-18(10-6-16)24-20(17-7-11-19(12-8-17)29(3,25)26)15-21(23-24)22(27-2)13-4-14-28-22/h5-12,15H,4,13-14H2,1-3H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 14: 6049-52 (2004) Article DOI: 10.1016/j.bmcl.2004.09.073 BindingDB Entry DOI: 10.7270/Q2Q81CJ0
					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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 14: 6049-52 (2004) Article DOI: 10.1016/j.bmcl.2004.09.073 BindingDB Entry DOI: 10.7270/Q2Q81CJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226652 (4-chlorophenyl 5-methoxy-2-methyl-3-[2-({[3-(nitro...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C22H24ClN3O7S/c1-15-19(10-11-24-34(30,31)13-3-12-33-26(28)29)20-14-18(32-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24H,3,10-13H2,1-2H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226641 (CHEMBL399198 | N-[2,2-dimethyl-3-(nitrooxy)propyl]...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)(C)CO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C24H26ClN3O6/c1-15-19(12-22(29)26-13-24(2,3)14-34-28(31)32)20-11-18(33-4)9-10-21(20)27(15)23(30)16-5-7-17(25)8-6-16/h5-11H,12-14H2,1-4H3,(H,26,29)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226652 (4-chlorophenyl 5-methoxy-2-methyl-3-[2-({[3-(nitro...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C22H24ClN3O7S/c1-15-19(10-11-24-34(30,31)13-3-12-33-26(28)29)20-14-18(32-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24H,3,10-13H2,1-2H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226656 (CHEMBL393680 | N-{1,1-bis[(nitrooxy)methyl]-2-(nit...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C23H22ClN5O12/c1-14-18(10-21(30)25-23(11-39-27(32)33,12-40-28(34)35)13-41-29(36)37)19-9-17(38-2)7-8-20(19)26(14)22(31)15-3-5-16(24)6-4-15/h3-9H,10-13H2,1-2H3,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50144867 (1-[5-(4-Methanesulfonyl-phenyl)-1-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)S(C)(=O)=O)C(=O)CCCO[N+]([O-])=O Show InChI InChI=1S/C21H21N3O7S/c1-30-17-9-7-16(8-10-17)23-20(15-5-11-18(12-6-15)32(2,28)29)14-19(22-23)21(25)4-3-13-31-24(26)27/h5-12,14H,3-4,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 1 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226639 (CHEMBL238240 | N-(2-{1-[(4-chlorophenyl)carbonyl]-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNC(=O)c3ccc(O[N+]([O-])=O)cc3)c2c1 Show InChI InChI=1S/C26H22ClN3O6/c1-16-22(13-14-28-25(31)17-5-9-20(10-6-17)36-30(33)34)23-15-21(35-2)11-12-24(23)29(16)26(32)18-3-7-19(27)8-4-18/h3-12,15H,13-14H2,1-2H3,(H,28,31)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226653 (2-{6-chloro-1-[(4-chlorophenyl)carbonyl]-5-methoxy...) Show SMILES COc1cc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl Show InChI InChI=1S/C19H15Cl2NO4/c1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h3-7,9H,8H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50112548 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1 Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226654 (4-chlorophenyl 5-methoxy-2-methyl-3-{2-[({4-[(nitr...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)c3ccc(CO[N+]([O-])=O)cc3)c2c1 Show InChI InChI=1S/C26H24ClN3O7S/c1-17-23(13-14-28-38(34,35)22-10-3-18(4-11-22)16-37-30(32)33)24-15-21(36-2)9-12-25(24)29(17)26(31)19-5-7-20(27)8-6-19/h3-12,15,28H,13-14,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50072064 (5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...) Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3	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 Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 48: 3930-4 (2005) Article DOI: 10.1021/jm0582064 BindingDB Entry DOI: 10.7270/Q28C9VSZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226648 (4-chlorophenyl 3-(2-hydroxyethyl)-5-methoxy-2-meth...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCO)c2c1 Show InChI InChI=1S/C19H18ClNO3/c1-12-16(9-10-22)17-11-15(24-2)7-8-18(17)21(12)19(23)13-3-5-14(20)6-4-13/h3-8,11,22H,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50112552 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-15-19(14-22(28)25-11-3-4-12-27)20-13-18(30-2)9-10-21(20)26(15)23(29)16-5-7-17(24)8-6-16/h5-10,13,27H,3-4,11-12,14H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50144867 (1-[5-(4-Methanesulfonyl-phenyl)-1-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)S(C)(=O)=O)C(=O)CCCO[N+]([O-])=O Show InChI InChI=1S/C21H21N3O7S/c1-30-17-9-7-16(8-10-17)23-20(15-5-11-18(12-6-15)32(2,28)29)14-19(22-23)21(25)4-3-13-31-24(26)27/h5-12,14H,3-4,13H2,1-2H3	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood				J Med Chem 47: 2180-93 (2004) Article DOI: 10.1021/jm030276s BindingDB Entry DOI: 10.7270/Q2P55MZF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226641 (CHEMBL399198 | N-[2,2-dimethyl-3-(nitrooxy)propyl]...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)(C)CO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C24H26ClN3O6/c1-15-19(12-22(29)26-13-24(2,3)14-34-28(31)32)20-11-18(33-4)9-10-21(20)27(15)23(30)16-5-7-17(25)8-6-16/h5-11H,12-14H2,1-4H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50012893 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1 Show InChI InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226638 (CHEMBL237022 | N-(2-{1-[(4-chlorophenyl)carbonyl]-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNC(=O)NCCCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C23H25ClN4O6/c1-15-19(10-12-26-23(30)25-11-3-13-34-28(31)32)20-14-18(33-2)8-9-21(20)27(15)22(29)16-4-6-17(24)7-5-16/h4-9,14H,3,10-13H2,1-2H3,(H2,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226655 (2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...) Show SMILES Cc1c(CC(=O)NCCCO)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(27)23-9-2-10-25)18-11-16(26)7-8-19(18)24(13)21(28)14-3-5-15(22)6-4-14/h3-8,11,25-26H,2,9-10,12H2,1H3,(H,23,27)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50112548 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1 Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226657 (2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...) Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClN3O6/c1-13-17(12-20(27)23-9-2-10-31-25(29)30)18-11-16(26)7-8-19(18)24(13)21(28)14-3-5-15(22)6-4-14/h3-8,11,26H,2,9-10,12H2,1H3,(H,23,27)	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226647 ((2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methy...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NOC(C)=O)c2c1 Show InChI InChI=1S/C21H19ClN2O5/c1-12-17(11-20(26)23-29-13(2)25)18-10-16(28-3)8-9-19(18)24(12)21(27)14-4-6-15(22)7-5-14/h4-10H,11H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226646 (4-chlorophenyl 3-(2-{[(3-hydroxypropyl)sulfonyl]am...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO)c2c1 Show InChI InChI=1S/C22H25ClN2O5S/c1-15-19(10-11-24-31(28,29)13-3-12-26)20-14-18(30-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24,26H,3,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50226646 (4-chlorophenyl 3-(2-{[(3-hydroxypropyl)sulfonyl]am...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCNS(=O)(=O)CCCO)c2c1 Show InChI InChI=1S/C22H25ClN2O5S/c1-15-19(10-11-24-31(28,29)13-3-12-26)20-14-18(30-2)8-9-21(20)25(15)22(27)16-4-6-17(23)7-5-16/h4-9,14,24,26H,3,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50226653 (2-{6-chloro-1-[(4-chlorophenyl)carbonyl]-5-methoxy...) Show SMILES COc1cc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl Show InChI InChI=1S/C19H15Cl2NO4/c1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h3-7,9H,8H2,1-2H3,(H,23,24)	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair

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