Found 8 hits with Last Name = 'byvatov' and Initial = 'e' 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)) | 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
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 | 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) |
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 | 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 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 | 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 G/H synthase 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | 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
| PDB Article PubMed
| n/a | n/a | 15 | 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 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | 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
| PDB Article PubMed
| n/a | n/a | 25 | 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 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
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 | 26 | 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 G/H synthase 2
(Homo sapiens (Human)) | BDBM50176068
(4-[1-(4-Chloro-phenyl)-1H-benzoimidazol-2-yl]-benz...)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN3O2S/c20-14-7-9-15(10-8-14)23-18-4-2-1-3-17(18)22-19(23)13-5-11-16(12-6-13)26(21,24)25/h1-12H,(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50176069
(4-[1-(2-Methoxy-phenyl)-1H-benzoimidazol-2-yl]-ben...)Show SMILES COc1ccccc1-n1c(nc2ccccc12)-c1ccc(cc1)S(N)(=O)=O |(2.46,2.44,;3.51,1.31,;5,1.63,;5.47,3.1,;6.98,3.42,;8.03,2.28,;7.54,.82,;6.04,.51,;5.56,-.96,;6.47,-2.22,;5.56,-3.45,;4.09,-2.97,;2.78,-3.74,;1.43,-2.97,;1.43,-1.43,;2.78,-.66,;4.09,-1.43,;8.01,-2.22,;8.77,-3.55,;10.31,-3.55,;11.09,-2.22,;10.31,-.89,;8.78,-.89,;12.63,-2.22,;14.17,-2.22,;12.62,-3.76,;12.62,-.68,)| Show InChI InChI=1S/C20H17N3O3S/c1-26-19-9-5-4-8-18(19)23-17-7-3-2-6-16(17)22-20(23)14-10-12-15(13-11-14)27(21,24)25/h2-13H,1H3,(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | 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 | |