Found 16 hits of Enzyme Inhibition Constant Data 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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM22360
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | 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
| DrugBank PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322872
(5-[4-(O2-Methyl diazen-1-ium-1,2-diolato)phenyl]-1...)Show SMILES CO\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N4O4S/c1-29-23-25(26)14-5-3-12(4-6-14)16-11-17(18(19,20)21)22-24(16)13-7-9-15(10-8-13)30(2,27)28/h3-11H,1-2H3/b25-23+ | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22360
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322875
(5-[4-(O2-(1-Acetoxyethy)diazen-1-ium-1,2-diolato)p...)Show SMILES CC(O\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)OC(C)=O Show InChI InChI=1S/C20H18F3N5O6S/c1-12(29)33-13(2)34-26-28(30)16-5-3-14(4-6-16)18-11-19(20(21,22)23)25-27(18)15-7-9-17(10-8-15)35(24,31)32/h3-11,13H,1-2H3,(H2,24,31,32)/b28-26+ | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322873
(5-[4-(O2-Methyl diazen-1-ium-1,2-diolato)phenyl]-1...)Show SMILES CO\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O4S/c1-29-23-25(26)13-4-2-11(3-5-13)15-10-16(17(18,19)20)22-24(15)12-6-8-14(9-7-12)30(21,27)28/h2-10H,1H3,(H2,21,27,28)/b25-23+ | 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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50322871
(5-[4-(O2-Ammonium diazen-1-ium-1,2-diolato)phenyl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)N([O-])N=O)C(F)(F)F Show InChI InChI=1S/C16H11F3N5O4S/c17-16(18,19)15-9-14(10-1-3-12(4-2-10)24(26)22-25)23(21-15)11-5-7-13(8-6-11)29(20,27)28/h1-9H,(H2,20,27,28)/q-1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322871
(5-[4-(O2-Ammonium diazen-1-ium-1,2-diolato)phenyl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)N([O-])N=O)C(F)(F)F Show InChI InChI=1S/C16H11F3N5O4S/c17-16(18,19)15-9-14(10-1-3-12(4-2-10)24(26)22-25)23(21-15)11-5-7-13(8-6-11)29(20,27)28/h1-9H,(H2,20,27,28)/q-1 | 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 | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50322872
(5-[4-(O2-Methyl diazen-1-ium-1,2-diolato)phenyl]-1...)Show SMILES CO\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N4O4S/c1-29-23-25(26)14-5-3-12(4-6-14)16-11-17(18(19,20)21)22-24(16)13-7-9-15(10-8-13)30(2,27)28/h3-11H,1-2H3/b25-23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50322875
(5-[4-(O2-(1-Acetoxyethy)diazen-1-ium-1,2-diolato)p...)Show SMILES CC(O\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)OC(C)=O Show InChI InChI=1S/C20H18F3N5O6S/c1-12(29)33-13(2)34-26-28(30)16-5-3-14(4-6-16)18-11-19(20(21,22)23)25-27(18)15-7-9-17(10-8-15)35(24,31)32/h3-11,13H,1-2H3,(H2,24,31,32)/b28-26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50322873
(5-[4-(O2-Methyl diazen-1-ium-1,2-diolato)phenyl]-1...)Show SMILES CO\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O4S/c1-29-23-25(26)13-4-2-11(3-5-13)15-10-16(17(18,19)20)22-24(15)12-6-8-14(9-7-12)30(21,27)28/h2-10H,1H3,(H2,21,27,28)/b25-23+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322874
(5-[4-(O2-(1-Acetoxyethy)diazen-1-ium-1,2-diolato)p...)Show SMILES CC(O\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)OC(C)=O Show InChI InChI=1S/C21H19F3N4O6S/c1-13(29)33-14(2)34-26-28(30)17-6-4-15(5-7-17)19-12-20(21(22,23)24)25-27(19)16-8-10-18(11-9-16)35(3,31)32/h4-12,14H,1-3H3/b28-26+ | 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 | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50322874
(5-[4-(O2-(1-Acetoxyethy)diazen-1-ium-1,2-diolato)p...)Show SMILES CC(O\N=[N+](\[O-])c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)OC(C)=O Show InChI InChI=1S/C21H19F3N4O6S/c1-13(29)33-14(2)34-26-28(30)17-6-4-15(5-7-17)19-12-20(21(22,23)24)25-27(19)16-8-10-18(11-9-16)35(3,31)32/h4-12,14H,1-3H3/b28-26+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of sheep COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 4544-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.022 BindingDB Entry DOI: 10.7270/Q2X92BG8 |
More data for this Ligand-Target Pair | |