Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50010842 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50542436
(CHEMBL4644802)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50542435
(CHEMBL4642218)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50542437
(CHEMBL4641093)Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50542436
(CHEMBL4644802)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50542437
(CHEMBL4641093)Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
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
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50542435
(CHEMBL4642218)Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China-Japan Union Hospital of Jilin University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127173 BindingDB Entry DOI: 10.7270/Q2D79FZ3 |
More data for this Ligand-Target Pair | |