Found 8 hits 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
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute for Chemical Biology
Curated by ChEMBL
| Assay Description Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid |
J Biol Chem 282: 16379-90 (2007)
Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Chemical Biology and Center in Molecular Toxicology
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Med Chem 50: 1425-41 (2007)
Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(586/587 > 99%)† (Mus musculus (Mouse)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured ... |
Bioorg Med Chem Lett 23: 5860-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.097 BindingDB Entry DOI: 10.7270/Q2SB48P0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) |
Bioorg Med Chem Lett 26: 1516-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.029 BindingDB Entry DOI: 10.7270/Q2377BKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute for Chemical Biology
Curated by ChEMBL
| Assay Description Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid |
J Biol Chem 282: 16379-90 (2007)
Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute for Chemical Biology
Curated by ChEMBL
| Assay Description Inhibition of human COX2 mediated PGE2 production in IL-1-beta-induced human dermal fibroblast cells |
J Biol Chem 282: 16379-90 (2007)
Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute for Chemical Biology
Curated by ChEMBL
| Assay Description Inhibition of human COX2 mediated PGE2 production in human whole blood |
J Biol Chem 282: 16379-90 (2007)
Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(512/587 = 87%)† (Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Med Chem 55: 2932-42 (2012)
Article DOI: 10.1021/jm201706b BindingDB Entry DOI: 10.7270/Q2RJ4KGS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |