Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50011196   

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 PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50103510 (4-(4-Azido-phenyl)-3-phenyl-5H-furan-2-one | CHEMB...) Show SMILES [N-]=[N+]=Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:10| Show InChI InChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50103509 (1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23-25(15)14-8-6-13(7-9-14)22-24-21/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	PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50103511 (1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-...) Show SMILES Cc1ccc(cc1)-c1cc(n(n1)-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)25(23-15)14-8-6-13(7-9-14)22-24-21/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	PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 2				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50103511 (1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-...) Show SMILES Cc1ccc(cc1)-c1cc(n(n1)-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)25(23-15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					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	PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50103509 (1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23-25(15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50103510 (4-(4-Azido-phenyl)-3-phenyl-5H-furan-2-one | CHEMB...) Show SMILES [N-]=[N+]=Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:10| Show InChI InChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibitory concentration against Prostaglandin G/H synthase 1				J Med Chem 44: 3039-42 (2001) BindingDB Entry DOI: 10.7270/Q22806W4
					More data for this Ligand-Target Pair