Found 18 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 1
(Ovis aries (Sheep)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339180
(2-{2-[1-(4-Chlorobenzoyl)-2-methyl-5-methoxyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCS(=O)(=O)NO)c2c1 Show InChI InChI=1S/C21H21ClN2O7S/c1-13-17(12-20(25)31-9-10-32(28,29)23-27)18-11-16(30-2)7-8-19(18)24(13)21(26)14-3-5-15(22)6-4-14/h3-8,11,23,27H,9-10,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339184
(CHEMBL1689434 | N-Methoxyl 2-[2-(4-Isobutylphenyl)...)Show InChI InChI=1S/C16H25NO5S/c1-12(2)11-14-5-7-15(8-6-14)13(3)16(18)22-9-10-23(19,20)17-21-4/h5-8,12-13,17H,9-11H2,1-4H3 | 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 | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339183
(2-[2-(4-Isobutylphenyl)propionoyloxy]ethanesulfony...)Show InChI InChI=1S/C15H23NO5S/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(17)21-8-9-22(19,20)16-18/h4-7,11-12,16,18H,8-10H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
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
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339181
((S)-(+)-2-[2-(6-Methoxynaphthyl-2-yl)propionoyloxy...)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCS(=O)(=O)NO |r| Show InChI InChI=1S/C16H19NO6S/c1-11(16(18)23-7-8-24(20,21)17-19)12-3-4-14-10-15(22-2)6-5-13(14)9-12/h3-6,9-11,17,19H,7-8H2,1-2H3/t11-/m0/s1 | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339181
((S)-(+)-2-[2-(6-Methoxynaphthyl-2-yl)propionoyloxy...)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCS(=O)(=O)NO |r| Show InChI InChI=1S/C16H19NO6S/c1-11(16(18)23-7-8-24(20,21)17-19)12-3-4-14-10-15(22-2)6-5-13(14)9-12/h3-6,9-11,17,19H,7-8H2,1-2H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | 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 Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | 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 | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339184
(CHEMBL1689434 | N-Methoxyl 2-[2-(4-Isobutylphenyl)...)Show InChI InChI=1S/C16H25NO5S/c1-12(2)11-14-5-7-15(8-6-14)13(3)16(18)22-9-10-23(19,20)17-21-4/h5-8,12-13,17H,9-11H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339183
(2-[2-(4-Isobutylphenyl)propionoyloxy]ethanesulfony...)Show InChI InChI=1S/C15H23NO5S/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(17)21-8-9-22(19,20)16-18/h4-7,11-12,16,18H,8-10H2,1-3H3 | 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 | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339180
(2-{2-[1-(4-Chlorobenzoyl)-2-methyl-5-methoxyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCS(=O)(=O)NO)c2c1 Show InChI InChI=1S/C21H21ClN2O7S/c1-13-17(12-20(25)31-9-10-32(28,29)23-27)18-11-16(30-2)7-8-19(18)24(13)21(26)14-3-5-15(22)6-4-14/h3-8,11,23,27H,9-10,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339182
(2-(Phenylacetyloxy)ethanesulfonylhydroxamic Acid |...)Show InChI InChI=1S/C10H13NO5S/c12-10(8-9-4-2-1-3-5-9)16-6-7-17(14,15)11-13/h1-5,11,13H,6-8H2 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339186
(CHEMBL1689435 | Ethanesulfonylhydroxamic Acid)Show InChI InChI=1S/C2H7NO3S/c1-2-7(5,6)3-4/h3-4H,2H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| 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 COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339182
(2-(Phenylacetyloxy)ethanesulfonylhydroxamic Acid |...)Show InChI InChI=1S/C10H13NO5S/c12-10(8-9-4-2-1-3-5-9)16-6-7-17(14,15)11-13/h1-5,11,13H,6-8H2 | 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 COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50339186
(CHEMBL1689435 | Ethanesulfonylhydroxamic Acid)Show InChI InChI=1S/C2H7NO3S/c1-2-7(5,6)3-4/h3-4H,2H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| 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 human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |