Found 2694 hits with Last Name = 'werz' and Initial = 'o' 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 E synthase
(Homo sapiens (Human)) | BDBM50532250
(CHEMBL4444875)Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12 Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50532250
(CHEMBL4444875)Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12 Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50302429
(2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1...)Show SMILES CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C32H30N4O2/c1-19(2)12-13-38-23-9-11-25-27(15-23)26-14-20(16-32(3,4)37)8-10-24(26)29-30(25)36-31(35-29)28-21(17-33)6-5-7-22(28)18-34/h5-11,14-15,19,37H,12-13,16H2,1-4H3,(H,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521309
(CHEMBL4467796)Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1nc2ccccc2s1 Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-10-14(25-22(28)26-15-6-8-16(23)17(24)11-15)7-9-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50270591
(2-(6-chloro-9-(3-hydroxy-3-methylbutyl)-1H-phenant...)Show SMILES CC(C)(O)CCc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C28H21ClN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,10-11H2,1-2H3,(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay |
J Med Chem 54: 3163-74 (2011)
Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521307
(CHEMBL4559364)Show SMILES Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1 Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-16(25-22(28)26-17-10-14(23)9-15(24)11-17)6-7-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50109831
(CHEMBL3604189)Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)C#Cc1cccnc1 Show InChI InChI=1S/C33H29N3O/c1-26(2)35-33(37)36(24-31-13-6-11-28(21-31)17-16-27-9-4-3-5-10-27)25-32-14-7-12-29(22-32)18-19-30-15-8-20-34-23-30/h3-15,20-23,26H,24-25H2,1-2H3,(H,35,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50109832
(CHEMBL1289402)Show SMILES Fc1cccc(Cl)c1-c1nc(c(Br)[nH]1)-c1ccc(nc1)C#Cc1ccccc1 Show InChI InChI=1S/C22H12BrClFN3/c23-21-20(27-22(28-21)19-17(24)7-4-8-18(19)25)15-10-12-16(26-13-15)11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50337654
(1-(3-(cyclopropylethynyl)benzyl)-3-isopropyl-1-(3-...)Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#CC1CC1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C31H30N2O/c1-24(2)32-31(34)33(23-30-13-7-11-28(21-30)19-17-26-14-15-26)22-29-12-6-10-27(20-29)18-16-25-8-4-3-5-9-25/h3-13,20-21,24,26H,14-15,22-23H2,1-2H3,(H,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50302421
(2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpr...)Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cc(F)cc1C#N)C#N Show InChI InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50532250
(CHEMBL4444875)Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12 Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in human A549 cells assessed as PGE2-alpha formation preincubated for 60 mins prior to IL-beta stimulation measured after 24 hr... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50532250
(CHEMBL4444875)Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12 Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in human A549 cells assessed as PGE2-alpha formation preincubated for 60 mins prior to IL-beta stimulation measured after 24 hr... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay |
J Nat Prod 78: 2867-79 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521297
(CHEMBL4584048)Show SMILES Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1 Show InChI InChI=1S/C22H18ClN3O2S/c1-14-11-17(25-22(27)24-16-6-4-5-15(23)12-16)9-10-19(14)28-13-21-26-18-7-2-3-8-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Jena
Curated by ChEMBL
| Assay Description Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of... |
J Med Chem 59: 5970-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01750 BindingDB Entry DOI: 10.7270/Q2902793 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50168766
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay |
J Med Chem 54: 3163-74 (2011)
Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426967
(CHEMBL2325079 | PF-4693627)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127992 BindingDB Entry DOI: 10.7270/Q20R9T5S |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50168776
(3-(5-(2'-chloro-2-fluorobiphenyl-4-yl)-1-(4-chloro...)Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1Cl Show InChI InChI=1S/C33H28Cl2FNO2/c1-20-27-16-22(23-10-14-26(29(36)17-23)25-6-4-5-7-28(25)35)11-15-30(27)37(19-21-8-12-24(34)13-9-21)31(20)18-33(2,3)32(38)39/h4-17H,18-19H2,1-3H3,(H,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay |
J Med Chem 54: 3163-74 (2011)
Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50109830
(CHEMBL1289055)Show SMILES Fc1cccc(Cl)c1-c1nc(c[nH]1)-c1ccc(nc1)C#Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H12Cl2FN3/c23-16-4-1-3-14(11-16)7-9-17-10-8-15(12-26-17)20-13-27-22(28-20)21-18(24)5-2-6-19(21)25/h1-6,8,10-13H,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521298
(CHEMBL4474511)Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1 Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(25-22(27)24-16-8-6-15(23)7-9-16)10-11-19(14)28-13-21-26-18-4-2-3-5-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM13066
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-Universität
Curated by ChEMBL
| Assay Description Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C |
J Med Chem 48: 6997-7004 (2005)
Article DOI: 10.1021/jm050619h BindingDB Entry DOI: 10.7270/Q2N29WH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521295
(CHEMBL4513805)Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(28-13-21-25-19-4-2-3-5-20(19)29-21)10-11-18(14)26-22(27)24-16-8-6-15(23)7-9-16/h2-12H,13H2,1H3,(H2,24,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
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
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis |
Bioorg Med Chem 19: 5372-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0 |
More data for this Ligand-Target Pair | |
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
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-Universität
Curated by ChEMBL
| Assay Description Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C |
J Med Chem 48: 6997-7004 (2005)
Article DOI: 10.1021/jm050619h BindingDB Entry DOI: 10.7270/Q2N29WH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 after 5 mins |
J Med Chem 53: 4691-700 (2010)
Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521291
(CHEMBL4467433)Show InChI InChI=1S/C22H19N3O2S/c1-15-13-17(24-22(26)23-16-7-3-2-4-8-16)11-12-19(15)27-14-21-25-18-9-5-6-10-20(18)28-21/h2-13H,14H2,1H3,(H2,23,24,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe-Universität
Curated by ChEMBL
| Assay Description Inhibitory concentration against COX-2; (valus obtained by Kato et al.) |
J Med Chem 48: 6997-7004 (2005)
Article DOI: 10.1021/jm050619h BindingDB Entry DOI: 10.7270/Q2N29WH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50168761
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay |
J Med Chem 54: 3163-74 (2011)
Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Mus musculus) | BDBM50029593
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 | UniProtKB/SwissProt
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs |
Bioorg Med Chem Lett 26: 5193-5197 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521303
(CHEMBL4578414)Show SMILES Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl Show InChI InChI=1S/C22H15Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-13H,(H2,25,26,28)/b12-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50273385
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)Show SMILES CCCCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C22H30ClN3O2S/c1-4-5-6-7-8-9-13-18(21(27)28)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(2)16(17)3/h10-12,14,18H,4-9,13H2,1-3H3,(H,27,28)(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50253803
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3ccccc3)n2)c1C Show InChI InChI=1S/C20H18ClN3O2S/c1-12-7-6-10-15(13(12)2)22-17-11-16(21)23-20(24-17)27-18(19(25)26)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,25,26)(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM24560
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50273681
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50273680
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)Show InChI InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(10(9)2)18-13-8-12(17)19-15(20-13)23-16(3,4)14(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20) | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50253802
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)Show InChI InChI=1S/C15H16ClN3O2S/c1-8-5-4-6-11(9(8)2)17-13-7-12(16)18-15(19-13)22-10(3)14(20)21/h4-7,10H,1-3H3,(H,20,21)(H,17,18,19) | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50521306
(CHEMBL4585429)Show SMILES Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1Cl Show InChI InChI=1S/C21H15Cl2N3O2S/c22-16-10-7-14(11-17(16)23)25-21(27)24-13-5-8-15(9-6-13)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as... |
ACS Med Chem Lett 10: 62-66 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK |
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
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| DrugBank PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 after 5 mins |
J Med Chem 53: 4691-700 (2010)
Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis |
Bioorg Med Chem 19: 5372-82 (2011)
Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50006805
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM22334
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+ | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273442
(2-(4-Chloro-6-(5-methoxy-2-methylbiphenyl-4-ylamin...)Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30ClN3O3S/c1-4-5-6-10-13-22(25(31)32)34-26-29-23(27)16-24(30-26)28-20-14-17(2)19(15-21(20)33-3)18-11-8-7-9-12-18/h7-9,11-12,14-16,22H,4-6,10,13H2,1-3H3,(H,31,32)(H,28,29,30) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273441
((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m1/s1 | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273390
((S)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m0/s1 | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273389
(2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidi...)Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273388
(CHEMBL456575 | Ethyl 2-(4-(biphenyl-4-ylmethylamin...)Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(=O)OCC Show InChI InChI=1S/C27H32ClN3O2S/c1-3-5-6-10-13-23(26(32)33-4-2)34-27-30-24(28)18-25(31-27)29-19-20-14-16-22(17-15-20)21-11-8-7-9-12-21/h7-9,11-12,14-18,23H,3-6,10,13,19H2,1-2H3,(H,29,30,31) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50273710
(2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...)Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29) | PDB
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Eberhard-Karls-University Tuebingen
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
J Med Chem 51: 8068-76 (2008)
Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4 |
More data for this Ligand-Target Pair | |