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 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 | 120 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
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
| Purchase
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 immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300790
(CHEMBL567160 | O2-Acetoxymethyl-1-{2-[2-(4-(1-(4-a...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1COC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N6O8S/c1-17(36)42-16-43-32-35(38)33-12-2-3-21(33)15-41-25(37)13-18-4-6-19(7-5-18)23-14-24(26(27,28)29)31-34(23)20-8-10-22(11-9-20)44(30,39)40/h4-11,14,21H,2-3,12-13,15-16H2,1H3,(H2,30,39,40)/b35-32-/t21-/m0/s1 | 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 | 900 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300789
(CHEMBL568723 | O2-Acetoxymethyl-1-{2-[2-(4-(1-(4-m...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1COC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O8S/c1-18(36)42-17-43-32-35(38)33-13-3-4-22(33)16-41-26(37)14-19-5-7-20(8-6-19)24-15-25(27(28,29)30)31-34(24)21-9-11-23(12-10-21)44(2,39)40/h5-12,15,22H,3-4,13-14,16-17H2,1-2H3/b35-32-/t22-/m0/s1 | 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 | 900 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
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 recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300792
(5-(4-Carboxymethylphenyl)-1-(4-aminosulfonylphenyl...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CC(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O4S/c19-18(20,21)16-10-15(12-3-1-11(2-4-12)9-17(25)26)24(23-16)13-5-7-14(8-6-13)29(22,27)28/h1-8,10H,9H2,(H,25,26)(H2,22,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300791
(5-(4-Carboxymethylphenyl)-1-(4-methanesulfonylphen...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CC(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C19H15F3N2O4S/c1-29(27,28)15-8-6-14(7-9-15)24-16(11-17(23-24)19(20,21)22)13-4-2-12(3-5-13)10-18(25)26/h2-9,11H,10H2,1H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| 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 COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
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 recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
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 ovine COX1 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300788
(CHEMBL568719 | O2-Acetoxymethyl-1-{N-[2-(2-(4-(1-(...)Show SMILES CN(CCOC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)[N+](\[O-])=N\OCOC(C)=O Show InChI InChI=1S/C24H25F3N6O8S/c1-16(34)40-15-41-30-33(36)31(2)11-12-39-23(35)13-17-3-5-18(6-4-17)21-14-22(24(25,26)27)29-32(21)19-7-9-20(10-8-19)42(28,37)38/h3-10,14H,11-13,15H2,1-2H3,(H2,28,37,38)/b33-30- | 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 | 3.50E+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 COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50300787
(CHEMBL568715 | O2-Acetoxymethyl-1-{N-[2-(2-(4-(1-(...)Show SMILES CN(CCOC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)[N+](\[O-])=N\OCOC(C)=O Show InChI InChI=1S/C25H26F3N5O8S/c1-17(34)40-16-41-30-33(36)31(2)12-13-39-24(35)14-18-4-6-19(7-5-18)22-15-23(25(26,27)28)29-32(22)20-8-10-21(11-9-20)42(3,37)38/h4-11,15H,12-14,16H2,1-3H3/b33-30- | 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 | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
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 | 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 immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300792
(5-(4-Carboxymethylphenyl)-1-(4-aminosulfonylphenyl...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CC(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O4S/c19-18(20,21)16-10-15(12-3-1-11(2-4-12)9-17(25)26)24(23-16)13-5-7-14(8-6-13)29(22,27)28/h1-8,10H,9H2,(H,25,26)(H2,22,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10E+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 immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300787
(CHEMBL568715 | O2-Acetoxymethyl-1-{N-[2-(2-(4-(1-(...)Show SMILES CN(CCOC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)[N+](\[O-])=N\OCOC(C)=O Show InChI InChI=1S/C25H26F3N5O8S/c1-17(34)40-16-41-30-33(36)31(2)12-13-39-24(35)14-18-4-6-19(7-5-18)22-15-23(25(26,27)28)29-32(22)20-8-10-21(11-9-20)42(3,37)38/h4-11,15H,12-14,16H2,1-3H3/b33-30- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20E+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 immunoassay |
Bioorg Med Chem 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300789
(CHEMBL568723 | O2-Acetoxymethyl-1-{2-[2-(4-(1-(4-m...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1COC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O8S/c1-18(36)42-17-43-32-35(38)33-13-3-4-22(33)16-41-26(37)14-19-5-7-20(8-6-19)24-15-25(27(28,29)30)31-34(24)21-9-11-23(12-10-21)44(2,39)40/h5-12,15,22H,3-4,13-14,16-17H2,1-2H3/b35-32-/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.18E+4 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300790
(CHEMBL567160 | O2-Acetoxymethyl-1-{2-[2-(4-(1-(4-a...)Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1COC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N6O8S/c1-17(36)42-16-43-32-35(38)33-12-2-3-21(33)15-41-25(37)13-18-4-6-19(7-5-18)23-14-24(26(27,28)29)31-34(23)20-8-10-22(11-9-20)44(30,39)40/h4-11,14,21H,2-3,12-13,15-16H2,1H3,(H2,30,39,40)/b35-32-/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+4 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300788
(CHEMBL568719 | O2-Acetoxymethyl-1-{N-[2-(2-(4-(1-(...)Show SMILES CN(CCOC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)[N+](\[O-])=N\OCOC(C)=O Show InChI InChI=1S/C24H25F3N6O8S/c1-16(34)40-15-41-30-33(36)31(2)11-12-39-23(35)13-17-3-5-18(6-4-17)21-14-22(24(25,26)27)29-32(21)19-7-9-20(10-8-19)42(28,37)38/h3-10,14H,11-13,15H2,1-2H3,(H2,28,37,38)/b33-30- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.54E+4 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300791
(5-(4-Carboxymethylphenyl)-1-(4-methanesulfonylphen...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CC(O)=O)cc1)C(F)(F)F Show InChI InChI=1S/C19H15F3N2O4S/c1-29(27,28)15-8-6-14(7-9-15)24-16(11-17(23-24)19(20,21)22)13-4-2-12(3-5-13)10-18(25)26/h2-9,11H,10H2,1H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.52E+4 | 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 17: 5182-8 (2009)
Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V |
More data for this Ligand-Target Pair | |