Found 9 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.70E+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 immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50327241
(2-(1-((1-(difluoromethyl)-2-oxo-1,2-dihydropyridin...)Show SMILES COc1ccc2n(Cc3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H18F2N2O4/c1-11-14(9-18(25)26)15-8-13(27-2)3-4-16(15)23(11)10-12-5-6-22(19(20)21)17(24)7-12/h3-8,19H,9-10H2,1-2H3,(H,25,26) | 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 | 3.10E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50327242
(2-(1-((1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydro...)Show SMILES COc1ccc2n(CC3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1 |t:8| Show InChI InChI=1S/C19H20F2N2O4/c1-11-14(8-18(25)26)15-7-13(27-2)4-5-16(15)22(11)9-12-3-6-17(24)23(10-12)19(20)21/h3-5,7,19H,6,8-10H2,1-2H3,(H,25,26) | 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 | >1.00E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50327240
(2-(1-(1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydrop...)Show SMILES COc1ccc2n(C(=O)C3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1 |t:9| Show InChI InChI=1S/C19H18F2N2O5/c1-10-13(8-17(25)26)14-7-12(28-2)4-5-15(14)23(10)18(27)11-3-6-16(24)22(9-11)19(20)21/h3-5,7,19H,6,8-9H2,1-2H3,(H,25,26) | 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 immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50327240
(2-(1-(1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydrop...)Show SMILES COc1ccc2n(C(=O)C3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1 |t:9| Show InChI InChI=1S/C19H18F2N2O5/c1-10-13(8-17(25)26)14-7-12(28-2)4-5-15(14)23(10)18(27)11-3-6-16(24)22(9-11)19(20)21/h3-5,7,19H,6,8-9H2,1-2H3,(H,25,26) | 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 | >1.00E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50327242
(2-(1-((1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydro...)Show SMILES COc1ccc2n(CC3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1 |t:8| Show InChI InChI=1S/C19H20F2N2O4/c1-11-14(8-18(25)26)15-7-13(27-2)4-5-16(15)22(11)9-12-3-6-17(24)23(10-12)19(20)21/h3-5,7,19H,6,8-10H2,1-2H3,(H,25,26) | 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 immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50327239
(2-(1-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridine...)Show SMILES COc1ccc2n(C(=O)c3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16F2N2O5/c1-10-13(9-17(25)26)14-8-12(28-2)3-4-15(14)23(10)18(27)11-5-6-22(19(20)21)16(24)7-11/h3-8,19H,9H2,1-2H3,(H,25,26) | 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 | >1.00E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50327241
(2-(1-((1-(difluoromethyl)-2-oxo-1,2-dihydropyridin...)Show SMILES COc1ccc2n(Cc3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H18F2N2O4/c1-11-14(9-18(25)26)15-8-13(27-2)3-4-16(15)23(11)10-12-5-6-22(19(20)21)17(24)7-12/h3-8,19H,9-10H2,1-2H3,(H,25,26) | 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 immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50327239
(2-(1-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridine...)Show SMILES COc1ccc2n(C(=O)c3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16F2N2O5/c1-10-13(9-17(25)26)14-8-12(28-2)3-4-15(14)23(10)18(27)11-5-6-22(19(20)21)16(24)7-11/h3-8,19H,9H2,1-2H3,(H,25,26) | 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 immunoassay |
Bioorg Med Chem Lett 20: 5776-80 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.132 BindingDB Entry DOI: 10.7270/Q2765FJ9 |
More data for this Ligand-Target Pair | |