Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50045206   

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))	BDBM50049923 (CHEMBL3322421) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(Cl)c1 |c:14| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-13-6-1-10(9-14(13)17)15-19-7-8-20(15)11-2-4-12(5-3-11)23(18,21)22/h1-6,9H,7-8H2,(H2,18,21,22)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049924 (CHEMBL3322422) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(c1)C(F)(F)F |c:14| Show InChI InChI=1S/C16H13ClF3N3O2S/c17-14-6-1-10(9-13(14)16(18,19)20)15-22-7-8-23(15)11-2-4-12(5-3-11)26(21,24)25/h1-6,9H,7-8H2,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049888 (CHEMBL3322406) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(Cl)c1 |c:14| Show InChI InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)13-5-3-12(4-6-13)20-9-8-19-16(20)11-2-7-14(17)15(18)10-11/h2-7,10H,8-9H2,1H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049917 (CHEMBL3322415) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(Cl)c1 |c:14| Show InChI InChI=1S/C15H14ClN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049894 (CHEMBL3322412) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(Br)c1 |c:14| Show InChI InChI=1S/C15H14BrN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049892 (CHEMBL3322410) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)cc1 |c:14| Show InChI InChI=1S/C15H14ClN3O2S/c16-12-3-1-11(2-4-12)15-18-9-10-19(15)13-5-7-14(8-6-13)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049889 (CHEMBL3322407) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(c1)C(F)(F)F |c:14| Show InChI InChI=1S/C17H14ClF3N2O2S/c1-26(24,25)13-5-3-12(4-6-13)23-9-8-22-16(23)11-2-7-15(18)14(10-11)17(19,20)21/h2-7,10H,8-9H2,1H3	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049921 (CHEMBL3322419) Show SMILES COc1ccc(cc1Cl)C1=NCCN1c1ccc(cc1)S(N)(=O)=O |t:10| Show InChI InChI=1S/C16H16ClN3O3S/c1-23-15-7-2-11(10-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049922 (CHEMBL3322420) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(F)c(F)c1 |c:14| Show InChI InChI=1S/C15H13F2N3O2S/c16-13-6-1-10(9-14(13)17)15-19-7-8-20(15)11-2-4-12(5-3-11)23(18,21)22/h1-6,9H,7-8H2,(H2,18,21,22)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049879 (CHEMBL3322397) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(Br)c1 |c:14| Show InChI InChI=1S/C16H15BrN2O2S/c1-22(20,21)15-7-5-14(6-8-15)19-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049890 (CHEMBL3322408) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(F)cc1 |c:14| Show InChI InChI=1S/C15H14FN3O2S/c16-12-3-1-11(2-4-12)15-18-9-10-19(15)13-5-7-14(8-6-13)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)	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	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049878 (CHEMBL3322396) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)cc1 |c:14| Show InChI InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3	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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049916 (CHEMBL3322414) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(F)c1 |c:14| Show InChI InChI=1S/C15H14FN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21)	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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049882 (CHEMBL3322400) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(Cl)c1 |c:14| Show InChI InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-7-5-14(6-8-15)19-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049919 (CHEMBL3322417) Show SMILES COc1ccc(cc1F)C1=NCCN1c1ccc(cc1)S(N)(=O)=O |t:10| Show InChI InChI=1S/C16H16FN3O3S/c1-23-15-7-2-11(10-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22)	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049893 (CHEMBL3322411) Show SMILES CC1CN(C(=N1)c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |c:4| Show InChI InChI=1S/C16H16ClN3O2S/c1-11-10-20(14-6-8-15(9-7-14)23(18,21)22)16(19-11)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H2,18,21,22)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049876 (CHEMBL3322394) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(F)cc1 |c:14| Show InChI InChI=1S/C16H15FN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049895 (CHEMBL3322413) Show SMILES CC1CN(C(=N1)c1cccc(Br)c1)c1ccc(cc1)S(N)(=O)=O |c:4| Show InChI InChI=1S/C16H16BrN3O2S/c1-11-10-20(14-5-7-15(8-6-14)23(18,21)22)16(19-11)12-3-2-4-13(17)9-12/h2-9,11H,10H2,1H3,(H2,18,21,22)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049875 (CHEMBL3322393) Show SMILES CC1CN(C(=N1)c1ccc(Cl)cc1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C17H17ClN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049918 (CHEMBL3322416) Show SMILES Cc1cccc(c1)C1=NCCN1c1ccc(cc1)S(N)(=O)=O |t:8| Show InChI InChI=1S/C16H17N3O2S/c1-12-3-2-4-13(11-12)16-18-9-10-19(16)14-5-7-15(8-6-14)22(17,20)21/h2-8,11H,9-10H2,1H3,(H2,17,20,21)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049920 (CHEMBL3322418) Show SMILES COc1cc(ccc1F)C1=NCCN1c1ccc(cc1)S(N)(=O)=O |t:10| Show InChI InChI=1S/C16H16FN3O3S/c1-23-15-10-11(2-7-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049880 (CHEMBL3322398) Show SMILES CC1CN(C(=N1)c1cccc(Br)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C17H17BrN2O2S/c1-12-11-20(15-6-8-16(9-7-15)23(2,21)22)17(19-12)13-4-3-5-14(18)10-13/h3-10,12H,11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049891 (CHEMBL3322409) Show SMILES CC1CN(C(=N1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |c:4| Show InChI InChI=1S/C16H16FN3O2S/c1-11-10-20(14-6-8-15(9-7-14)23(18,21)22)16(19-11)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H2,18,21,22)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049887 (CHEMBL3322405) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(F)c(F)c1 |c:14| Show InChI InChI=1S/C16H14F2N2O2S/c1-23(21,22)13-5-3-12(4-6-13)20-9-8-19-16(20)11-2-7-14(17)15(18)10-11/h2-7,10H,8-9H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049886 (CHEMBL3322404) Show SMILES COc1ccc(cc1Cl)C1=NCCN1c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C17H17ClN2O3S/c1-23-16-8-3-12(11-15(16)18)17-19-9-10-20(17)13-4-6-14(7-5-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049885 (CHEMBL3322403) Show SMILES COc1cc(ccc1F)C1=NCCN1c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C17H17FN2O3S/c1-23-16-11-12(3-8-15(16)18)17-19-9-10-20(17)13-4-6-14(7-5-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049884 (CHEMBL3322402) Show SMILES COc1ccc(cc1F)C1=NCCN1c1ccc(cc1)S(C)(=O)=O |t:10| Show InChI InChI=1S/C17H17FN2O3S/c1-23-16-8-3-12(11-15(16)18)17-19-9-10-20(17)13-4-6-14(7-5-13)24(2,21)22/h3-8,11H,9-10H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049883 (CHEMBL3322401) Show SMILES Cc1cccc(c1)C1=NCCN1c1ccc(cc1)S(C)(=O)=O |t:8| Show InChI InChI=1S/C17H18N2O2S/c1-13-4-3-5-14(12-13)17-18-10-11-19(17)15-6-8-16(9-7-15)22(2,20)21/h3-9,12H,10-11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049881 (CHEMBL3322399) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1cccc(F)c1 |c:14| Show InChI InChI=1S/C16H15FN2O2S/c1-22(20,21)15-7-5-14(6-8-15)19-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049877 (CHEMBL3322395) Show SMILES CC1CN(C(=N1)c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C17H17FN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50057932 (2-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4...) Show SMILES Cc1cn(c(n1)-c1ccc(Cl)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H15ClN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
					More data for this Ligand-Target Pair