Found 246 hits with Last Name = 'bhardwaj' and Initial = 'a' 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 |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human carbonic anhydrase 13 expressed in Escherichia coliBL21(DE3) pLysS incubated for 10 mins by phenol red dye based assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00734 BindingDB Entry DOI: 10.7270/Q2FR019P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Falcipain 2
(Plasmodium falciparum) | BDBM50261135
(CHEMBL525938 | LMNNAEHINQFYMFI)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C86H125N21O23S2/c1-10-45(5)70(106-84(127)61(38-51-42-92-43-93-51)102-75(118)55(27-29-69(113)114)95-72(115)47(7)94-78(121)62(39-66(89)110)104-82(125)63(40-67(90)111)103-76(119)56(30-32-131-8)96-73(116)53(87)34-44(3)4)85(128)105-64(41-68(91)112)81(124)97-54(26-28-65(88)109)74(117)99-58(35-48-18-14-12-15-19-48)80(123)101-59(37-50-22-24-52(108)25-23-50)79(122)98-57(31-33-132-9)77(120)100-60(36-49-20-16-13-17-21-49)83(126)107-71(86(129)130)46(6)11-2/h12-25,42-47,53-64,70-71,108H,10-11,26-41,87H2,1-9H3,(H2,88,109)(H2,89,110)(H2,90,111)(H2,91,112)(H,92,93)(H,94,121)(H,95,115)(H,96,116)(H,97,124)(H,98,122)(H,99,117)(H,100,120)(H,101,123)(H,102,118)(H,103,119)(H,104,125)(H,105,128)(H,106,127)(H,107,126)(H,113,114)(H,129,130)/t45-,46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
International Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 |
J Med Chem 51: 3116-23 (2008)
Article DOI: 10.1021/jm070735f BindingDB Entry DOI: 10.7270/Q20G3JZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317931
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio...)Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317932
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4...)Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22ClNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.650 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317924
((2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-pheny...)Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18ClNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317930
((2R*,3S*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-3,4...)Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22FNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.11 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317929
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)-2-(4-fluor...)Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(F)cc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27FO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.28 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50376383
(CHEMBL259972)Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317920
((2R*,4R*,6S*)-Tetrahydro-2,4-diphenyl-6-(thiocyana...)Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H19NO2S/c20-14-23-13-17-11-19(21,16-9-5-2-6-10-16)12-18(22-17)15-7-3-1-4-8-15/h1-10,17-18,21H,11-13H2/t17-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.47 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317928
((2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(th...)Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H23NO2S/c26-18-29-17-22-16-25(27,21-14-8-3-9-15-21)23(19-10-4-1-5-11-19)24(28-22)20-12-6-2-7-13-20/h1-15,22-24,27H,16-17H2/t22-,23-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.55 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317927
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.72 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317923
((2R*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio)met...)Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23ClO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.82 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317921
((2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophe...)Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.05 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317919
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.07 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317933
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)...)Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27BrO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317922
((2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-pheny...)Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18FNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.57 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317926
((2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl...)Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.01 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317934
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-3,4-...)Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22BrNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.03 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50084631
(CHEMBL3427203)Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317925
((2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth...)Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23BrO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 5.49 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297675
(CHEMBL551148 | N-(4-fluorobenzyl)-4-(4-(methylsulf...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C19H15F4N3O2S/c1-29(27,28)15-8-4-13(5-9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of recombinant human COX-2 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by fluoresc... |
Bioorg Med Chem Lett 26: 1516-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.029 BindingDB Entry DOI: 10.7270/Q2377BKC |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM13065
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50096276
(CHEMBL1235806)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F Show InChI InChI=1S/C12H6N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H2,13,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM13065
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant ovine COX1 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50355036
(CHEMBL1835477)Show SMILES CC(=O)Oc1cc(F)ccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O4S/c1-10(26)29-16-8-11(19)2-7-14(16)15-9-17(18(20,21)22)24-25(15)12-3-5-13(6-4-12)30(23,27)28/h2-9H,1H3,(H2,23,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem Lett 21: 6074-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.053 BindingDB Entry DOI: 10.7270/Q2NK3FD8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 21: 4288-95 (2013)
Article DOI: 10.1016/j.bmc.2013.04.074 BindingDB Entry DOI: 10.7270/Q2DV1NTZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of recombinant human COX-2 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by fluoresc... |
Bioorg Med Chem Lett 26: 1516-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.029 BindingDB Entry DOI: 10.7270/Q2377BKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) |
Bioorg Med Chem Lett 26: 1516-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.029 BindingDB Entry DOI: 10.7270/Q2377BKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50057564
(4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
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| 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
(Homo sapiens (Human)) | BDBM50207446
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) |
Bioorg Med Chem Lett 26: 1516-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.029 BindingDB Entry DOI: 10.7270/Q2377BKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50557782
(CHEMBL4800072) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
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
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 by enzyme immuno assay |
Bioorg Med Chem Lett 21: 6074-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.053 BindingDB Entry DOI: 10.7270/Q2NK3FD8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
Bioorg Med Chem Lett 23: 163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.131 BindingDB Entry DOI: 10.7270/Q26T0NZ5 |
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
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 70 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 by enzyme immuno assay |
Bioorg Med Chem Lett 22: 2154-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.130 BindingDB Entry DOI: 10.7270/Q2BR8SNC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human COX2 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50557783
(CHEMBL4784073) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50557782
(CHEMBL4800072) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant ovine COX1 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317918
((2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio...)Show SMILES C[C@H]1C[C@@](O)(C[C@@H](CSC#N)O1)c1ccccc1 |r| Show InChI InChI=1S/C14H17NO2S/c1-11-7-14(16,12-5-3-2-4-6-12)8-13(17-11)9-18-10-15/h2-6,11,13,16H,7-9H2,1H3/t11-,13-,14+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 117 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by enzyme immuno assay |
Bioorg Med Chem Lett 22: 2154-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.130 BindingDB Entry DOI: 10.7270/Q2BR8SNC |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50492260
(CHEMBL2398541)Show SMILES NS(=O)(=O)c1ccc(CCn2cc(nn2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H15ClN4O2S/c17-14-5-3-13(4-6-14)16-11-21(20-19-16)10-9-12-1-7-15(8-2-12)24(18,22)23/h1-8,11H,9-10H2,(H2,18,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 21: 4288-95 (2013)
Article DOI: 10.1016/j.bmc.2013.04.074 BindingDB Entry DOI: 10.7270/Q2DV1NTZ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50317917
((2S*,4R*,6S*)-2-((Ethylthio)methyl)tetrahydro-6-me...)Show SMILES CCSC[C@@H]1C[C@](O)(C[C@H](C)O1)c1ccccc1 |r| Show InChI InChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 175 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem Lett 23: 163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.131 BindingDB Entry DOI: 10.7270/Q26T0NZ5 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50557783
(CHEMBL4784073) | PDB
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 |
TBA
| Assay Description Inhibition of recombinant ovine COX1 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50317926
((2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl...)Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1)c1ccccc1 |r| Show InChI InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 209 | 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 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method |
J Med Chem 53: 3707-17 (2010)
Article DOI: 10.1021/jm1001327 BindingDB Entry DOI: 10.7270/Q2NP24KF |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50557784
(CHEMBL4797035)Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1N=[N+]=[N-])-c1ccco1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant ovine COX1 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9 |
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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| 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 1
(Ovis aries (Sheep)) | BDBM22360
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immuno assay |
Bioorg Med Chem Lett 21: 6074-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.053 BindingDB Entry DOI: 10.7270/Q2NK3FD8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50365900
(CHEMBL1957885)Show SMILES FC(F)(F)c1ccc(cc1)\N=C\c1cn(C(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H15F3N2O/c24-23(25,26)18-10-12-19(13-11-18)27-14-17-15-28(21-9-5-4-8-20(17)21)22(29)16-6-2-1-3-7-16/h1-15H/b27-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 by enzyme immuno assay |
Bioorg Med Chem Lett 22: 2154-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.130 BindingDB Entry DOI: 10.7270/Q2BR8SNC |
More data for this Ligand-Target Pair | |