Found 27 hits for monomerid = 50056998 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
UniProtKB/SwissProt
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Similars
| PDB PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 296: 558-66 (2001)
BindingDB Entry DOI: 10.7270/Q2QR4VPJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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Similars
| DrugBank PDB Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 296: 558-66 (2001)
BindingDB Entry DOI: 10.7270/Q2QR4VPJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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Similars
| DrugBank PDB PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 290: 551-60 (1999)
BindingDB Entry DOI: 10.7270/Q2S18110 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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antibodypedia GoogleScholar
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Similars
| PDB PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 290: 551-60 (1999)
BindingDB Entry DOI: 10.7270/Q2S18110 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 296: 558-66 (2001)
BindingDB Entry DOI: 10.7270/Q2QR4VPJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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| PDB Article PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutathione reductase (GR)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| 6.10E+3 | -7.11 | 2.90E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Ataturk University
| Assay Description GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer... |
J Enzyme Inhib Med Chem 27: 18-23 (2012)
Article DOI: 10.3109/14756366.2011.572879 BindingDB Entry DOI: 10.7270/Q20K27GD |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase (6PGD)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
Reactome pathway KEGG
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| 1.01E+4 | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
6-phosphogluconate dehydrogenase (6PGD)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 5.09E+4 | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic... |
J Enzyme Inhib Med Chem 25: 476-9 (2010)
Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 |
More data for this Ligand-Target Pair | |
Glucose 6-phosphate dehydrogenase (G6PD)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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Similars
| Article PubMed
| 5.79E+4 | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
| Assay Description Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... |
J Enzyme Inhib Med Chem 25: 871-5 (2010)
Article DOI: 10.3109/14756360903489581 BindingDB Entry DOI: 10.7270/Q24M93D3 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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Similars
| PDB Article PubMed
| n/a | n/a | 8.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Inhibition of COX1 (unknown origin) assessed as suppression of PGG2 conversion to PGH2 incubated fro 2 mins by TMPD based colorimetric assay |
Bioorg Med Chem 27: 3918-3928 (2019)
Article DOI: 10.1016/j.bmc.2019.07.033 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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Similars
| PDB PubMed
| n/a | n/a | 3.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins measur... |
Bioorg Med Chem 28: (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Inhibition of COX2 (unknown origin) assessed as suppression of PGG2 conversion to PGH2 incubated fro 2 mins by TMPD based colorimetric assay |
Bioorg Med Chem 27: 3918-3928 (2019)
Article DOI: 10.1016/j.bmc.2019.07.033 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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Similars
| Article PubMed
| n/a | n/a | 7.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
KEGG
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Similars
| PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Inhibition of sheep seminal vesicle COX-1 assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins follo... |
Bioorg Med Chem 25: 316-326 (2017)
Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-2 (COX-2)
(Mus musculus (Mouse)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Inhibition of mouse COX-2 expressed in baculovirus infected Sf21 insect cells assessed as reduction in oxygen consumption using arachidonic acid as s... |
Bioorg Med Chem 25: 316-326 (2017)
Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 9: 1773-8 (1999)
Article DOI: 10.1016/s0960-894x(99)00288-7 BindingDB Entry DOI: 10.7270/Q2QJ7HT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1 |
Bioorg Med Chem Lett 9: 1773-8 (1999)
Article DOI: 10.1016/s0960-894x(99)00288-7 BindingDB Entry DOI: 10.7270/Q2QJ7HT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production. |
Bioorg Med Chem Lett 8: 1181-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00184-x BindingDB Entry DOI: 10.7270/Q2TQ60PJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production |
J Med Chem 40: 980-9 (1997)
Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation using arachidonic acid as substrate preincubated for 10 mins measured af... |
Bioorg Med Chem 28: (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production. |
Bioorg Med Chem Lett 8: 1181-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00184-x BindingDB Entry DOI: 10.7270/Q2TQ60PJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50056998
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production('... |
J Med Chem 40: 980-9 (1997)
Article DOI: 10.1021/jm9607010 BindingDB Entry DOI: 10.7270/Q2WH2P37 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |