Found 12 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
(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 MMDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
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
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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 ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(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 MMDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| 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 ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(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 MMDB
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UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
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
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| 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 ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50057538
(4-[5-(4-Hydroxymethyl-phenyl)-3-trifluoromethyl-py...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26) | PDB MMDB
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Patents
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| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50275667
(CHEMBL500062 | O2-Acetoxymethyl 1-{2-[4-(1-(4-sulf...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1C(=O)OCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H25F3N6O8S/c1-16(35)41-15-42-31-34(37)32-12-2-3-21(32)24(36)40-14-17-4-6-18(7-5-17)22-13-23(25(26,27)28)30-33(22)19-8-10-20(11-9-19)43(29,38)39/h4-11,13,21H,2-3,12,14-15H2,1H3,(H2,29,38,39)/b34-31-/t21-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50057538
(4-[5-(4-Hydroxymethyl-phenyl)-3-trifluoromethyl-py...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50275666
(5-(4-Hydroxymethylphenyl)-1-(4-methanesulfonylphen...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O3S/c1-27(25,26)15-8-6-14(7-9-15)23-16(10-17(22-23)18(19,20)21)13-4-2-12(11-24)3-5-13/h2-10,24H,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50275666
(5-(4-Hydroxymethylphenyl)-1-(4-methanesulfonylphen...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O3S/c1-27(25,26)15-8-6-14(7-9-15)23-16(10-17(22-23)18(19,20)21)13-4-2-12(11-24)3-5-13/h2-10,24H,11H2,1H3 | PDB MMDB
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 ovine COX2 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50275667
(CHEMBL500062 | O2-Acetoxymethyl 1-{2-[4-(1-(4-sulf...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1C(=O)OCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H25F3N6O8S/c1-16(35)41-15-42-31-34(37)32-12-2-3-21(32)24(36)40-14-17-4-6-18(7-5-17)22-13-23(25(26,27)28)30-33(22)19-8-10-20(11-9-19)43(29,38)39/h4-11,13,21H,2-3,12,14-15H2,1H3,(H2,29,38,39)/b34-31-/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 Inhibition of ovine COX1 by enzyme immuno assay |
Bioorg Med Chem 16: 9694-8 (2008)
Article DOI: 10.1016/j.bmc.2008.10.001 BindingDB Entry DOI: 10.7270/Q2PN95HK |
More data for this Ligand-Target Pair | |