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
(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
| Purchase
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 |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50248696
(1-(4-Methanesulfonylphenyl)-5-(2-chloropyridin-4-y...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-4-2-11(3-5-12)23-13(9-14(22-23)16(18,19)20)10-6-7-21-15(17)8-10/h2-9H,1H3 | 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 | 190 | 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 |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50248699
(1-(4-aminosulfonylphenyl)-5-[4-(1-difluoromethyl-1...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F Show InChI InChI=1S/C16H11F5N4O3S/c17-15(18)24-6-5-9(7-14(24)26)12-8-13(16(19,20)21)23-25(12)10-1-3-11(4-2-10)29(22,27)28/h1-8,15H,(H2,22,27,28) | 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 | 690 | 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 |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50248697
(1-(4-Aminosulfonylphenyl)-5-(2-chloropyridin-4-yl)...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C15H10ClF3N4O2S/c16-14-7-9(5-6-21-14)12-8-13(15(17,18)19)22-23(12)10-1-3-11(4-2-10)26(20,24)25/h1-8H,(H2,20,24,25) | 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 | 730 | 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 |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Bos taurus) | 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
Reactome pathway 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 | 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 bovine COX2 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50248698
(1-(4-Methanesulfonylphenyl)-5-[4-(1-difluoromethyl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F Show InChI InChI=1S/C17H12F5N3O3S/c1-29(27,28)12-4-2-11(3-5-12)25-13(9-14(23-25)17(20,21)22)10-6-7-24(16(18)19)15(26)8-10/h2-9,16H,1H3 | 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 | 1.82E+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 |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Bos taurus) | 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
Reactome pathway 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 bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Bos taurus) | 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
Reactome pathway 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 bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Bos taurus) | BDBM50248698
(1-(4-Methanesulfonylphenyl)-5-[4-(1-difluoromethyl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F Show InChI InChI=1S/C17H12F5N3O3S/c1-29(27,28)12-4-2-11(3-5-12)25-13(9-14(23-25)17(20,21)22)10-6-7-24(16(18)19)15(26)8-10/h2-9,16H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Bos taurus) | BDBM50248697
(1-(4-Aminosulfonylphenyl)-5-(2-chloropyridin-4-yl)...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C15H10ClF3N4O2S/c16-14-7-9(5-6-21-14)12-8-13(15(17,18)19)22-23(12)10-1-3-11(4-2-10)26(20,24)25/h1-8H,(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Bos taurus) | BDBM50248699
(1-(4-aminosulfonylphenyl)-5-[4-(1-difluoromethyl-1...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F Show InChI InChI=1S/C16H11F5N4O3S/c17-15(18)24-6-5-9(7-14(24)26)12-8-13(16(19,20)21)23-25(12)10-1-3-11(4-2-10)29(22,27)28/h1-8,15H,(H2,22,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Bos taurus) | BDBM50248696
(1-(4-Methanesulfonylphenyl)-5-(2-chloropyridin-4-y...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-4-2-11(3-5-12)23-13(9-14(22-23)16(18,19)20)10-6-7-21-15(17)8-10/h2-9H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of bovine COX1 by enzyme immunoassay |
J Med Chem 52: 1525-9 (2009)
Article DOI: 10.1021/jm8015188 BindingDB Entry DOI: 10.7270/Q26Q1X5H |
More data for this Ligand-Target Pair | |