Found 22 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)) | 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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203689
(1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-2-met...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C17H15BrN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203687
(1-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-me...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203693
(2-ethylthio-1-(4-fluorophenyl)-5-(4-methylsulfonyl...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203692
(2-ethylthio-1-(4-methoxyphenyl)-5-(4-methylsulfony...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C19H20N2O3S2/c1-4-25-19-20-13-18(14-5-11-17(12-6-14)26(3,22)23)21(19)15-7-9-16(24-2)10-8-15/h5-13H,4H2,1-3H3 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203686
(1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-me...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203694
(5-(4-methylsulfonylphenyl)-2-methylthio-1-phenylim...)Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-12-16(19(17)14-6-4-3-5-7-14)13-8-10-15(11-9-13)23(2,20)21/h3-12H,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203691
(2-ethylthio-5-(4-methylsulfonylphenyl)-1-phenylimi...)Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-13-17(20(18)15-7-5-4-6-8-15)14-9-11-16(12-10-14)24(2,21)22/h4-13H,3H2,1-2H3 | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203695
(1-(4-chlorophenyl)-2-ethylthio-5-(4-methylsulfonyl...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203688
(1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-m...)Show SMILES COc1ccc(cc1)-n1c(SC)ncc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O3S2/c1-23-15-8-6-14(7-9-15)20-17(12-19-18(20)24-2)13-4-10-16(11-5-13)25(3,21)22/h4-12H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50203690
(1-(4-bromophenyl)-2-ethylthio-5-(4-methylsulfonylp...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C18H17BrN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203689
(1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-2-met...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C17H15BrN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203694
(5-(4-methylsulfonylphenyl)-2-methylthio-1-phenylim...)Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-12-16(19(17)14-6-4-3-5-7-14)13-8-10-15(11-9-13)23(2,20)21/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203686
(1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-me...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203688
(1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-m...)Show SMILES COc1ccc(cc1)-n1c(SC)ncc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O3S2/c1-23-15-8-6-14(7-9-15)20-17(12-19-18(20)24-2)13-4-10-16(11-5-13)25(3,21)22/h4-12H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203693
(2-ethylthio-1-(4-fluorophenyl)-5-(4-methylsulfonyl...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203687
(1-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-me...)Show SMILES CSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-11-16(20(17)14-7-5-13(18)6-8-14)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203695
(1-(4-chlorophenyl)-2-ethylthio-5-(4-methylsulfonyl...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | 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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203690
(1-(4-bromophenyl)-2-ethylthio-5-(4-methylsulfonylp...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C18H17BrN2O2S2/c1-3-24-18-20-12-17(21(18)15-8-6-14(19)7-9-15)13-4-10-16(11-5-13)25(2,22)23/h4-12H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203691
(2-ethylthio-5-(4-methylsulfonylphenyl)-1-phenylimi...)Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-13-17(20(18)15-7-5-4-6-8-15)14-9-11-16(12-10-14)24(2,21)22/h4-13H,3H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50203692
(2-ethylthio-1-(4-methoxyphenyl)-5-(4-methylsulfony...)Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C19H20N2O3S2/c1-4-25-19-20-13-18(14-5-11-17(12-6-14)26(3,22)23)21(19)15-7-9-16(24-2)10-8-15/h5-13H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 15: 1976-82 (2007)
Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0 |
More data for this Ligand-Target Pair | |