Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029603   

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))	BDBM50286050 (4-[4-(4-Fluoro-phenyl)-thiophen-3-yl]-benzenesulfo...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-21-10-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286047 (4-[4-(3-Fluoro-4-methoxy-phenyl)-thiophen-3-yl]-be...) Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14FNO3S2/c1-22-17-7-4-12(8-16(17)18)15-10-23-9-14(15)11-2-5-13(6-3-11)24(19,20)21/h2-10H,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					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	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286048 (2-Bromo-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1csc(Br)c1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(18)16(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	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286052 (3-(3-Fluoro-4-methoxy-phenyl)-4-(4-methanesulfonyl...) Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H15FO3S2/c1-22-18-8-5-13(9-17(18)19)16-11-23-10-15(16)12-3-6-14(7-4-12)24(2,20)21/h3-11H,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	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286051 (3-(4-Methanesulfonyl-phenyl)-4-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1cscc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H16O3S2/c1-21-15-7-3-13(4-8-15)17-11-22-12-18(17)14-5-9-16(10-6-14)23(2,19)20/h3-12H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286046 (3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286053 (2,5-Dibromo-3-(4-fluoro-phenyl)-4-(4-methanesulfon...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Br)sc(Br)c1-c1ccc(F)cc1 Show InChI InChI=1S/C17H11Br2FO2S2/c1-24(21,22)13-8-4-11(5-9-13)15-14(16(18)23-17(15)19)10-2-6-12(20)7-3-10/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					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	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286051 (3-(4-Methanesulfonyl-phenyl)-4-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1cscc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H16O3S2/c1-21-15-7-3-13(4-8-15)17-11-22-12-18(17)14-5-9-16(10-6-14)23(2,19)20/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286050 (4-[4-(4-Fluoro-phenyl)-thiophen-3-yl]-benzenesulfo...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-21-10-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286048 (2-Bromo-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1csc(Br)c1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(18)16(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286047 (4-[4-(3-Fluoro-4-methoxy-phenyl)-thiophen-3-yl]-be...) Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14FNO3S2/c1-22-17-7-4-12(8-16(17)18)15-10-23-9-14(15)11-2-5-13(6-3-11)24(19,20)21/h2-10H,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286049 (2-Bromo-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Br)scc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-12(5-9-14)16-15(10-22-17(16)18)11-2-6-13(19)7-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50286049 (2-Bromo-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Br)scc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-12(5-9-14)16-15(10-22-17(16)18)11-2-6-13(19)7-3-11/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286052 (3-(3-Fluoro-4-methoxy-phenyl)-4-(4-methanesulfonyl...) Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H15FO3S2/c1-22-18-8-5-13(9-17(18)19)16-11-23-10-15(16)12-3-6-14(7-4-12)24(2,20)21/h3-11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286046 (3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-t...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50286053 (2,5-Dibromo-3-(4-fluoro-phenyl)-4-(4-methanesulfon...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Br)sc(Br)c1-c1ccc(F)cc1 Show InChI InChI=1S/C17H11Br2FO2S2/c1-24(21,22)13-8-4-11(5-9-13)15-14(16(18)23-17(15)19)10-2-6-12(20)7-3-10/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 5: 2919-2922 (1995) Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2
					More data for this Ligand-Target Pair