Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50000977   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266867 (CHEMBL4084676) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266855 (CHEMBL4074716) Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266856 (CHEMBL4091547) Show SMILES OC(=O)C1=Cc2cc(ccc2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266851 (CHEMBL4095906) Show SMILES Cc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:6| Show InChI InChI=1S/C12H8F8O3S/c1-5-2-7(24(16,17,18,19)20)3-6-4-8(11(21)22)10(12(13,14)15)23-9(5)6/h2-4,10H,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266866 (CHEMBL4069602) Show SMILES CCCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:8| Show InChI InChI=1S/C14H12F8O3S/c1-2-3-7-4-9(26(18,19,20,21)22)5-8-6-10(13(23)24)12(14(15,16)17)25-11(7)8/h4-6,12H,2-3H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					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	53	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266853 (CHEMBL4072067) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266850 (CHEMBL4068589) Show SMILES CCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:7| Show InChI InChI=1S/C13H10F8O3S/c1-2-6-3-8(25(17,18,19,20)21)4-7-5-9(12(22)23)11(13(14,15)16)24-10(6)7/h3-5,11H,2H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266865 (CHEMBL4088012) Show SMILES CCCCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:9| Show InChI InChI=1S/C15H14F8O3S/c1-2-3-4-8-5-10(27(19,20,21,22)23)6-9-7-11(14(24)25)13(15(16,17)18)26-12(8)9/h5-7,13H,2-4H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266868 (CHEMBL4062140) Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266852 (CHEMBL4075294) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2O[C@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266868 (CHEMBL4062140) Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266856 (CHEMBL4091547) Show SMILES OC(=O)C1=Cc2cc(ccc2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266841 (CHEMBL4098347) Show SMILES FC(F)(F)C1Oc2c(Br)cc(cc2C=C1C=O)S(F)(F)(F)(F)F |c:14| Show InChI InChI=1S/C11H5BrF8O2S/c12-8-3-7(23(16,17,18,19)20)2-5-1-6(4-21)10(11(13,14)15)22-9(5)8/h1-4,10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266850 (CHEMBL4068589) Show SMILES CCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:7| Show InChI InChI=1S/C13H10F8O3S/c1-2-6-3-8(25(17,18,19,20)21)4-7-5-9(12(22)23)11(13(14,15)16)24-10(6)7/h3-5,11H,2H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266854 (CHEMBL4081499) Show SMILES OC(=O)C1=Cc2ccc(cc2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)3-5-1-2-6(4-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266853 (CHEMBL4072067) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266867 (CHEMBL4084676) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266852 (CHEMBL4075294) Show SMILES OC(=O)C1=Cc2cc(cc(Br)c2O[C@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H5BrF8O3S/c12-7-3-5(24(16,17,18,19)20)1-4-2-6(10(21)22)9(11(13,14)15)23-8(4)7/h1-3,9H,(H,21,22)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266851 (CHEMBL4095906) Show SMILES Cc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:6| Show InChI InChI=1S/C12H8F8O3S/c1-5-2-7(24(16,17,18,19)20)3-6-4-8(11(21)22)10(12(13,14)15)23-9(5)6/h2-4,10H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266866 (CHEMBL4069602) Show SMILES CCCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:8| Show InChI InChI=1S/C14H12F8O3S/c1-2-3-7-4-9(26(18,19,20,21)22)5-8-6-10(13(23)24)12(14(15,16)17)25-11(7)8/h4-6,12H,2-3H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266843 (CHEMBL4090622) Show SMILES OC(=O)C1=Cc2cc(cc(Cc3ccccc3)c2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C18H12F8O3S/c19-18(20,21)16-14(17(27)28)9-12-8-13(30(22,23,24,25)26)7-11(15(12)29-16)6-10-4-2-1-3-5-10/h1-5,7-9,16H,6H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266842 (CHEMBL4080317) Show SMILES FC(F)(F)C1Oc2ccc(cc2C=C1C=O)S(F)(F)(F)(F)F |c:13| Show InChI InChI=1S/C11H6F8O2S/c12-11(13,14)10-7(5-20)3-6-4-8(1-2-9(6)21-10)22(15,16,17,18)19/h1-5,10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266865 (CHEMBL4088012) Show SMILES CCCCc1cc(cc2C=C(C(Oc12)C(F)(F)F)C(O)=O)S(F)(F)(F)(F)F |c:9| Show InChI InChI=1S/C15H14F8O3S/c1-2-3-4-8-5-10(27(19,20,21,22)23)6-9-7-11(14(24)25)13(15(16,17)18)26-12(8)9/h5-7,13H,2-4H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266854 (CHEMBL4081499) Show SMILES OC(=O)C1=Cc2ccc(cc2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)3-5-1-2-6(4-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266842 (CHEMBL4080317) Show SMILES FC(F)(F)C1Oc2ccc(cc2C=C1C=O)S(F)(F)(F)(F)F |c:13| Show InChI InChI=1S/C11H6F8O2S/c12-11(13,14)10-7(5-20)3-6-4-8(1-2-9(6)21-10)22(15,16,17,18)19/h1-5,10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266841 (CHEMBL4098347) Show SMILES FC(F)(F)C1Oc2c(Br)cc(cc2C=C1C=O)S(F)(F)(F)(F)F |c:14| Show InChI InChI=1S/C11H5BrF8O2S/c12-8-3-7(23(16,17,18,19)20)2-5-1-6(4-21)10(11(13,14)15)22-9(5)8/h1-4,10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50266855 (CHEMBL4074716) Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3| Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266843 (CHEMBL4090622) Show SMILES OC(=O)C1=Cc2cc(cc(Cc3ccccc3)c2OC1C(F)(F)F)S(F)(F)(F)(F)F |t:3| Show InChI InChI=1S/C18H12F8O3S/c19-18(20,21)16-14(17(27)28)9-12-8-13(30(22,23,24,25)26)7-11(15(12)29-16)6-10-4-2-1-3-5-10/h1-5,7-9,16H,6H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...				J Med Chem 60: 4135-4146 (2017) Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q
					More data for this Ligand-Target Pair