Found 7 hits of 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 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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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | 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
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PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
KEGG
UniProtKB/SwissProt
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CHEMBL
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MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50229317
((3S,5R)-3-hydroxy-5-(iodomethyl)-3-(1-tosyl-1H-ind...)Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)[C@@]1(O)C[C@H](CI)OC1=O Show InChI InChI=1S/C20H18INO5S/c1-13-6-8-15(9-7-13)28(25,26)22-12-17(16-4-2-3-5-18(16)22)20(24)10-14(11-21)27-19(20)23/h2-9,12,14,24H,10-11H2,1H3/t14-,20+/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50229317
((3S,5R)-3-hydroxy-5-(iodomethyl)-3-(1-tosyl-1H-ind...)Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)[C@@]1(O)C[C@H](CI)OC1=O Show InChI InChI=1S/C20H18INO5S/c1-13-6-8-15(9-7-13)28(25,26)22-12-17(16-4-2-3-5-18(16)22)20(24)10-14(11-21)27-19(20)23/h2-9,12,14,24H,10-11H2,1H3/t14-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50229316
((3S,5R)-5-(ethylthiomethyl)-3-hydroxy-3-(1-tosyl-1...)Show SMILES CCSC[C@H]1C[C@@](O)(C(=O)O1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H23NO5S2/c1-3-29-14-16-12-22(25,21(24)28-16)19-13-23(20-7-5-4-6-18(19)20)30(26,27)17-10-8-15(2)9-11-17/h4-11,13,16,25H,3,12,14H2,1-2H3/t16-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 |
Bioorg Med Chem Lett 18: 85-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.010
BindingDB Entry DOI: 10.7270/Q21C1WNC |
More data for this
Ligand-Target Pair | |
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