Found 41 hits with Last Name = 'daraie' and Initial = 'b' 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)) | BDBM50300865
(7,8,9,10-Tetrahydro-2-(4-(methylsulfonyl)phenyl)be...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3CCCCc3c2n1 Show InChI InChI=1S/C21H19NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h6-12H,2-5H2,1H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295359
(3-(4-Fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO3S2/c1-28(25,26)17-12-6-14(7-13-17)21-23(16-10-8-15(22)9-11-16)20(24)18-4-2-3-5-19(18)27-21/h2-13,21H,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300866
(2-(4-(Methylsulfonyl)phenyl)benzo[h]quinoline-4-ca...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3ccccc3c2n1 Show InChI InChI=1S/C21H15NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h2-12H,1H3,(H,23,24) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
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
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| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295358
(3-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-...)Show SMILES Cc1ccc(cc1)N1C(Sc2ccccc2C1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S2/c1-15-7-11-17(12-8-15)23-21(24)19-5-3-4-6-20(19)27-22(23)16-9-13-18(14-10-16)28(2,25)26/h3-14,22H,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50346138
(3-benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazina...)Show InChI InChI=1S/C18H19NO3S2/c1-24(21,22)16-9-7-15(8-10-16)18-19(17(20)11-12-23-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50346139
(2-(4-(methylsulfonyl)phenyl)-3-phenethyl-1,3-thiaz...)Show InChI InChI=1S/C19H21NO3S2/c1-25(22,23)17-9-7-16(8-10-17)19-20(18(21)12-14-24-19)13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295356
(3-Benzyl-2-(4-methylsulfonylphenyl)-1,3-benzthiazi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C22H19NO3S2/c1-28(25,26)18-13-11-17(12-14-18)22-23(15-16-7-3-2-4-8-16)21(24)19-9-5-6-10-20(19)27-22/h2-14,22H,15H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300867
(2-(4-(Methylsulfonyl)phenyl)-8-phenyl-quinoline-4-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300868
(7,8-Dimethyl-2-(4-(methylsulfonyl)phenyl)quinoline...)Show SMILES Cc1ccc2c(cc(nc2c1C)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C19H17NO4S/c1-11-4-9-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-7-14(8-6-13)25(3,23)24/h4-10H,1-3H3,(H,21,22) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300864
(5-methoxy-2-(4-(methylsulfonyl)phenyl)-1H-indole |...)Show InChI InChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50346141
(3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...)Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50346142
(2-(4-(methylsulfonyl)phenyl)-3-pentyl-1,3-thiazina...)Show InChI InChI=1S/C16H23NO3S2/c1-3-4-5-11-17-15(18)10-12-21-16(17)13-6-8-14(9-7-13)22(2,19)20/h6-9,16H,3-5,10-12H2,1-2H3 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295361
(2-(4-Methylsulfonylphenyl)-3-phenethyl-1,3-benzthi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C23H21NO3S2/c1-29(26,27)19-13-11-18(12-14-19)23-24(16-15-17-7-3-2-4-8-17)22(25)20-9-5-6-10-21(20)28-23/h2-14,23H,15-16H2,1H3 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300869
(8-Methyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-c...)Show SMILES Cc1cccc2c(cc(nc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21) | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50300870
(2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295357
(3-(4-Methoxyphenyl)-2-(4-methylsulfonylphenyl)-1,3...)Show SMILES COc1ccc(cc1)N1C(Sc2ccccc2C1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO4S2/c1-27-17-11-9-16(10-12-17)23-21(24)19-5-3-4-6-20(19)28-22(23)15-7-13-18(14-8-15)29(2,25)26/h3-14,22H,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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50346140
(2-(4-(methylsulfonyl)phenyl)-3-propyl-1,3-thiazina...)Show InChI InChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50295360
(2-(4-Methylsulfonylphenyl)-3-phenyl-1,3-benzthiazi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1c1ccccc1 Show InChI InChI=1S/C21H17NO3S2/c1-27(24,25)17-13-11-15(12-14-17)21-22(16-7-3-2-4-8-16)20(23)18-9-5-6-10-19(18)26-21/h2-14,21H,1H3 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295359
(3-(4-Fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO3S2/c1-28(25,26)17-12-6-14(7-13-17)21-23(16-10-8-15(22)9-11-16)20(24)18-4-2-3-5-19(18)27-21/h2-13,21H,1H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300870
(2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20) | PDB
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| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50346140
(2-(4-(methylsulfonyl)phenyl)-3-propyl-1,3-thiazina...)Show InChI InChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3 | 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 | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300869
(8-Methyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-c...)Show SMILES Cc1cccc2c(cc(nc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21) | 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 | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300868
(7,8-Dimethyl-2-(4-(methylsulfonyl)phenyl)quinoline...)Show SMILES Cc1ccc2c(cc(nc2c1C)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C19H17NO4S/c1-11-4-9-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-7-14(8-6-13)25(3,23)24/h4-10H,1-3H3,(H,21,22) | 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 | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300867
(2-(4-(Methylsulfonyl)phenyl)-8-phenyl-quinoline-4-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26) | 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 | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50346141
(3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...)Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295357
(3-(4-Methoxyphenyl)-2-(4-methylsulfonylphenyl)-1,3...)Show SMILES COc1ccc(cc1)N1C(Sc2ccccc2C1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO4S2/c1-27-17-11-9-16(10-12-17)23-21(24)19-5-3-4-6-20(19)28-22(23)15-7-13-18(14-8-15)29(2,25)26/h3-14,22H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50346142
(2-(4-(methylsulfonyl)phenyl)-3-pentyl-1,3-thiazina...)Show InChI InChI=1S/C16H23NO3S2/c1-3-4-5-11-17-15(18)10-12-21-16(17)13-6-8-14(9-7-13)22(2,19)20/h6-9,16H,3-5,10-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295356
(3-Benzyl-2-(4-methylsulfonylphenyl)-1,3-benzthiazi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C22H19NO3S2/c1-28(25,26)18-13-11-17(12-14-18)22-23(15-16-7-3-2-4-8-16)21(24)19-9-5-6-10-20(19)27-22/h2-14,22H,15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295361
(2-(4-Methylsulfonylphenyl)-3-phenethyl-1,3-benzthi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C23H21NO3S2/c1-29(26,27)19-13-11-18(12-14-19)23-24(16-15-17-7-3-2-4-8-17)22(25)20-9-5-6-10-21(20)28-23/h2-14,23H,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50346139
(2-(4-(methylsulfonyl)phenyl)-3-phenethyl-1,3-thiaz...)Show InChI InChI=1S/C19H21NO3S2/c1-25(22,23)17-9-7-16(8-10-17)19-20(18(21)12-14-24-19)13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295358
(3-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-...)Show SMILES Cc1ccc(cc1)N1C(Sc2ccccc2C1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S2/c1-15-7-11-17(12-8-15)23-21(24)19-5-3-4-6-20(19)27-22(23)16-9-13-18(14-10-16)28(2,25)26/h3-14,22H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50295360
(2-(4-Methylsulfonylphenyl)-3-phenyl-1,3-benzthiazi...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1c1ccccc1 Show InChI InChI=1S/C21H17NO3S2/c1-27(24,25)17-13-11-15(12-14-17)21-22(16-7-3-2-4-8-16)20(23)18-9-5-6-10-19(18)26-21/h2-14,21H,1H3 | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50346138
(3-benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazina...)Show InChI InChI=1S/C18H19NO3S2/c1-24(21,22)16-9-7-15(8-10-16)18-19(17(20)11-12-23-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3 | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300866
(2-(4-(Methylsulfonyl)phenyl)benzo[h]quinoline-4-ca...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3ccccc3c2n1 Show InChI InChI=1S/C21H15NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h2-12H,1H3,(H,23,24) | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50300865
(7,8,9,10-Tetrahydro-2-(4-(methylsulfonyl)phenyl)be...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3CCCCc3c2n1 Show InChI InChI=1S/C21H19NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h6-12H,2-5H2,1H3,(H,23,24) | PDB
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UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
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
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Similars
| Article PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescence assay |
Bioorg Med Chem 17: 5369-73 (2009)
Article DOI: 10.1016/j.bmc.2009.06.056 BindingDB Entry DOI: 10.7270/Q2XS5VDJ |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent enzyme assay |
Bioorg Med Chem 17: 5312-7 (2009)
Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX |
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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shahid Beheshti University (M.C)
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by chemiluminescent assay |
Bioorg Med Chem Lett 19: 3162-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM |
More data for this Ligand-Target Pair | |