Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'núñez' and Initial = 'mt'   

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))	BDBM50373567 (CHEMBL271173) Show SMILES CCOc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H19N3O3S2/c1-3-24-17-11-16(19-12-14-5-4-10-25-14)20-18(21-17)13-6-8-15(9-7-13)26(2,22)23/h4-11H,3,12H2,1-2H3,(H,19,20,21)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373588 (CHEMBL270293) Show SMILES COc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H17N3O3S2/c1-23-16-10-15(18-11-13-4-3-9-24-13)19-17(20-16)12-5-7-14(8-6-12)25(2,21)22/h3-10H,11H2,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373562 (CHEMBL270078) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2cccs2)n1 Show InChI InChI=1S/C16H14ClN3O2S2/c1-24(21,22)13-6-4-11(5-7-13)16-19-14(17)9-15(20-16)18-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H,18,19,20)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373585 (CHEMBL272433) Show SMILES CCSc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H19N3O2S3/c1-3-24-17-11-16(19-12-14-5-4-10-25-14)20-18(21-17)13-6-8-15(9-7-13)26(2,22)23/h4-11H,3,12H2,1-2H3,(H,19,20,21)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373527 (CHEMBL271338) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S2/c1-27(24,25)13-6-4-11(5-7-13)16-22-14(17(18,19)20)9-15(23-16)21-10-12-3-2-8-26-12/h2-9H,10H2,1H3,(H,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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373566 (CHEMBL271549) Show SMILES COCCOc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H21N3O4S2/c1-25-9-10-26-18-12-17(20-13-15-4-3-11-27-15)21-19(22-18)14-5-7-16(8-6-14)28(2,23)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,20,21,22)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373608 (CHEMBL270294) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(SCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H13F3N2O2S3/c1-27(23,24)13-6-4-11(5-7-13)16-21-14(17(18,19)20)9-15(22-16)26-10-12-3-2-8-25-12/h2-9H,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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373589 (CHEMBL271932) Show SMILES COc1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H19N3O3S/c1-25-18-12-17(20-13-14-6-4-3-5-7-14)21-19(22-18)15-8-10-16(11-9-15)26(2,23)24/h3-12H,13H2,1-2H3,(H,20,21,22)	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373594 (CHEMBL403957) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccc(Cl)s2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-28(25,26)12-5-2-10(3-6-12)16-23-13(17(19,20)21)8-15(24-16)22-9-11-4-7-14(18)27-11/h2-8H,9H2,1H3,(H,22,23,24)	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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373538 (CHEMBL273118) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F Show InChI InChI=1S/C21H16F3N3O2S2/c1-31(28,29)16-8-6-13(7-9-16)20-26-18(21(22,23)24)11-19(27-20)25-12-15-10-14-4-2-3-5-17(14)30-15/h2-11H,12H2,1H3,(H,25,26,27)	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	5.92	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373576 (CHEMBL259468) Show SMILES CCN(CC)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O2S2/c1-4-24(5-2)19-13-18(21-14-16-7-6-12-27-16)22-20(23-19)15-8-10-17(11-9-15)28(3,25)26/h6-13H,4-5,14H2,1-3H3,(H,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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373565 (CHEMBL271348) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(OC2CCCC2)n1 Show InChI InChI=1S/C21H23N3O3S2/c1-29(25,26)18-10-8-15(9-11-18)21-23-19(22-14-17-7-4-12-28-17)13-20(24-21)27-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6,14H2,1H3,(H,22,23,24)	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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373577 (CHEMBL405564) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccc(NCc2cccs2)n1 Show InChI InChI=1S/C16H15N3O2S2/c1-23(20,21)14-6-4-12(5-7-14)16-17-9-8-15(19-16)18-11-13-3-2-10-22-13/h2-10H,11H2,1H3,(H,17,18,19)	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	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373592 (CHEMBL271104) Show SMILES CC(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H21N3O2S2/c1-13(2)17-11-18(20-12-15-5-4-10-25-15)22-19(21-17)14-6-8-16(9-7-14)26(3,23)24/h4-11,13H,12H2,1-3H3,(H,20,21,22)	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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373579 (CHEMBL271614) Show SMILES CC(C)Nc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O2S2/c1-13(2)21-18-11-17(20-12-15-5-4-10-26-15)22-19(23-18)14-6-8-16(9-7-14)27(3,24)25/h4-11,13H,12H2,1-3H3,(H2,20,21,22,23)	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	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373587 (CHEMBL270305) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H16ClN3O2S/c1-25(23,24)15-9-7-14(8-10-15)18-21-16(19)11-17(22-18)20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21,22)	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	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373595 (CHEMBL269818) Show SMILES Cc1ccc(CNc2cc(nc(n2)-c2ccc(cc2)S(C)(=O)=O)C(F)(F)F)s1 Show InChI InChI=1S/C18H16F3N3O2S2/c1-11-3-6-13(27-11)10-22-16-9-15(18(19,20)21)23-17(24-16)12-4-7-14(8-5-12)28(2,25)26/h3-9H,10H2,1-2H3,(H,22,23,24)	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	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373562 (CHEMBL270078) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2cccs2)n1 Show InChI InChI=1S/C16H14ClN3O2S2/c1-24(21,22)13-6-4-11(5-7-13)16-19-14(17)9-15(20-16)18-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H,18,19,20)	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	12.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373540 (CHEMBL409468) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccco2)cc(n1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)13-8-14(21-9-11-2-1-7-26-11)23-15(22-13)10-3-5-12(6-4-10)27(20,24)25/h1-8H,9H2,(H2,20,24,25)(H,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	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373539 (CHEMBL442706) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F Show InChI InChI=1S/C20H15F3N4O2S2/c21-20(22,23)17-10-18(25-11-14-9-13-3-1-2-4-16(13)30-14)27-19(26-17)12-5-7-15(8-6-12)31(24,28)29/h1-10H,11H2,(H2,24,28,29)(H,25,26,27)	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	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373553 (CHEMBL272627) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S2/c1-27(24,25)13-4-2-12(3-5-13)16-22-14(17(18,19)20)8-15(23-16)21-9-11-6-7-26-10-11/h2-8,10H,9H2,1H3,(H,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	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373564 (CHEMBL272862) Show SMILES Cc1c(NCc2ccccc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-17(20(21,22)23)25-19(15-8-10-16(11-9-15)29(2,27)28)26-18(13)24-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25,26)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373528 (CHEMBL271337) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-8-14(21-9-11-2-1-7-26-11)23-15(22-13)10-3-5-12(6-4-10)27(20,24)25/h1-8H,9H2,(H2,20,24,25)(H,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	22.3	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373527 (CHEMBL271338) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S2/c1-27(24,25)13-6-4-11(5-7-13)16-22-14(17(18,19)20)9-15(23-16)21-10-12-3-2-8-26-12/h2-9H,10H2,1H3,(H,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	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373572 (CHEMBL257678) Show SMILES Cc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17F4N3O2S/c1-12-17(20(22,23)24)26-19(14-5-9-16(10-6-14)30(2,28)29)27-18(12)25-11-13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3,(H,25,26,27)	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	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373586 (CHEMBL408788) Show SMILES CCSc1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O2S2/c1-3-26-19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)27(2,24)25/h4-13H,3,14H2,1-2H3,(H,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	24.1	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373593 (CHEMBL255378) Show SMILES CC(C)c1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-13-20(22-14-16-7-5-4-6-8-16)24-21(23-19)17-9-11-18(12-10-17)27(3,25)26/h4-13,15H,14H2,1-3H3,(H,22,23,24)	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	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373534 (CHEMBL270730) Show SMILES Cn1cccc1CNc1cc(nc(n1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-25-9-3-4-13(25)11-22-16-10-15(18(19,20)21)23-17(24-16)12-5-7-14(8-6-12)28(2,26)27/h3-10H,11H2,1-2H3,(H,22,23,24)	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	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373590 (CHEMBL405071) Show SMILES CC(C)(C)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H23N3O2S2/c1-20(2,3)17-12-18(21-13-15-6-5-11-26-15)23-19(22-17)14-7-9-16(10-8-14)27(4,24)25/h5-12H,13H2,1-4H3,(H,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	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373546 (CHEMBL257054) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCC2CCC=CC2)cc(n1)C(F)(F)F |w:15.15,c:19| Show InChI InChI=1S/C19H20F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)18-24-16(19(20,21)22)11-17(25-18)23-12-13-5-3-2-4-6-13/h2-3,7-11,13H,4-6,12H2,1H3,(H,23,24,25)	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	32.9	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373570 (CHEMBL257677) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(Cl)cc(NCc2ccc(F)cc2)n1 Show InChI InChI=1S/C18H15ClFN3O2S/c1-26(24,25)15-8-4-13(5-9-15)18-22-16(19)10-17(23-18)21-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,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	33.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373573 (CHEMBL257108) Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H20ClN3O2S/c1-13-4-6-15(7-5-13)12-22-19-14(2)18(21)23-20(24-19)16-8-10-17(11-9-16)27(3,25)26/h4-11H,12H2,1-3H3,(H,22,23,24)	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	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373568 (CHEMBL406527) Show SMILES CCS(=O)c1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H19N3O3S3/c1-3-26(22)17-11-16(19-12-14-5-4-10-25-14)20-18(21-17)13-6-8-15(9-7-13)27(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,20,21)	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	37.6	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373563 (CHEMBL272678) Show SMILES Cc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H16F3N3O2S2/c1-11-15(18(19,20)21)23-17(12-5-7-14(8-6-12)28(2,25)26)24-16(11)22-10-13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,22,23,24)	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	38.2	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373546 (CHEMBL257054) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCC2CCC=CC2)cc(n1)C(F)(F)F |w:15.15,c:19| Show InChI InChI=1S/C19H20F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)18-24-16(19(20,21)22)11-17(25-18)23-12-13-5-3-2-4-6-13/h2-3,7-11,13H,4-6,12H2,1H3,(H,23,24,25)	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	43.1	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373574 (CHEMBL257299) Show SMILES Cc1ccc(CNc2cc(Cl)nc(n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H18ClN3O2S/c1-13-3-5-14(6-4-13)12-21-18-11-17(20)22-19(23-18)15-7-9-16(10-8-15)26(2,24)25/h3-11H,12H2,1-2H3,(H,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	44.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373553 (CHEMBL272627) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S2/c1-27(24,25)13-4-2-12(3-5-13)16-22-14(17(18,19)20)8-15(23-16)21-9-11-6-7-26-10-11/h2-8,10H,9H2,1H3,(H,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	46.5	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373558 (CHEMBL270510) Show SMILES Cc1ccc(CNc2cc(nc(n2)-c2ccc(cc2)S(C)(=O)=O)C(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N3O2S/c1-13-3-5-14(6-4-13)12-24-18-11-17(20(21,22)23)25-19(26-18)15-7-9-16(10-8-15)29(2,27)28/h3-11H,12H2,1-2H3,(H,24,25,26)	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	48.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373582 (CHEMBL269832) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccccc2)cc(=O)[nH]1 Show InChI InChI=1S/C18H17N3O3S/c1-25(23,24)15-9-7-14(8-10-15)18-20-16(11-17(22)21-18)19-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,19,20,21,22)	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	49.3	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373526 (CHEMBL408215) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,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	51.9	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373569 (CHEMBL256847) Show SMILES Cc1c(Cl)nc(nc1NCc1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H17ClFN3O2S/c1-12-17(20)23-19(14-5-9-16(10-6-14)27(2,25)26)24-18(12)22-11-13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3,(H,22,23,24)	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	68.8	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373554 (CHEMBL271339) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccccc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)18-24-16(19(20,21)22)11-17(25-18)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373526 (CHEMBL408215) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,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	72	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373605 (CHEMBL405841) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F Show InChI InChI=1S/C19H15F4N3O2S/c1-29(27,28)15-8-4-13(5-9-15)18-25-16(19(21,22)23)10-17(26-18)24-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,24,25,26)	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	77.2	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373581 (CHEMBL272393) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cccs2)cc(=O)[nH]1 Show InChI InChI=1S/C16H15N3O3S2/c1-24(21,22)13-6-4-11(5-7-13)16-18-14(9-15(20)19-16)17-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373549 (CHEMBL405123) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2nccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O2S2/c1-27(24,25)11-4-2-10(3-5-11)15-22-12(16(17,18)19)8-13(23-15)21-9-14-20-6-7-26-14/h2-8H,9H2,1H3,(H,21,22,23)	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	83.6	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373584 (CHEMBL272239) Show SMILES CCS(=O)(=O)c1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O4S2/c1-3-29(26,27)19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)28(2,24)25/h4-13H,3,14H2,1-2H3,(H,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	90.7	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373591 (CHEMBL271103) Show SMILES CC(C)(C)c1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H25N3O2S/c1-22(2,3)19-14-20(23-15-16-8-6-5-7-9-16)25-21(24-19)17-10-12-18(13-11-17)28(4,26)27/h5-14H,15H2,1-4H3,(H,23,24,25)	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	93.9	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373571 (CHEMBL404362) Show SMILES CCc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H19F4N3O2S/c1-3-17-18(21(23,24)25)27-19(14-6-10-16(11-7-14)31(2,29)30)28-20(17)26-12-13-4-8-15(22)9-5-13/h4-11H,3,12H2,1-2H3,(H,26,27,28)	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373575 (CHEMBL270517) Show SMILES CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H18F3N3O2S2/c1-3-15-16(19(20,21)22)24-17(12-6-8-14(9-7-12)29(2,26)27)25-18(15)23-11-13-5-4-10-28-13/h4-10H,3,11H2,1-2H3,(H,23,24,25)	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	121	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair

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