Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50046735 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
(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 MMDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50056999
(CHEMBL56367 | nimesulide)Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50128688
(CHEMBL3628727)Show SMILES COc1ccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(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 MMDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50056999
(CHEMBL56367 | nimesulide)Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 | PDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50128691
(CHEMBL3628630)Show SMILES COc1cccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-3-5-12(9-11)22-14-8-10(16(17)18)6-7-13(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50128688
(CHEMBL3628727)Show SMILES COc1ccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50128691
(CHEMBL3628630)Show SMILES COc1cccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-3-5-12(9-11)22-14-8-10(16(17)18)6-7-13(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50128748
(CHEMBL3628629)Show SMILES COc1ccccc1Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C14H14N2O6S/c1-21-12-5-3-4-6-13(12)22-14-9-10(16(17)18)7-8-11(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50128748
(CHEMBL3628629)Show SMILES COc1ccccc1Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O Show InChI InChI=1S/C14H14N2O6S/c1-21-12-5-3-4-6-13(12)22-14-9-10(16(17)18)7-8-11(14)15-23(2,19)20/h3-9,15H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method |
Bioorg Med Chem 23: 6807-14 (2015)
Article DOI: 10.1016/j.bmc.2015.10.007 BindingDB Entry DOI: 10.7270/Q22N543P |
More data for this Ligand-Target Pair | |