Found 449 hits for monomerid = 17638 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Prostaglandin G/H synthase (cyclooxygenase)
(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
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| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hyderabad Campus
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chrom... |
Bioorg Med Chem Lett 22: 6745-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.082 BindingDB Entry DOI: 10.7270/Q2C82BCM |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hyderabad Campus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 expressed in insect cells using arachidonic acid as substrate incubated for 1 min prior to substrate addition me... |
Bioorg Med Chem Lett 22: 6745-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.082 BindingDB Entry DOI: 10.7270/Q2C82BCM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| PDB Article
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for its inhibitory activity against PGS (prostaglandin synthetase). |
Bioorg Med Chem Lett 3: 2087-2092 (1993)
Article DOI: 10.1016/S0960-894X(01)81022-2 BindingDB Entry DOI: 10.7270/Q2G73F6K |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay |
Bioorg Med Chem Lett 9: 1715-20 (1999)
Article DOI: 10.1016/s0960-894x(99)00264-4 BindingDB Entry DOI: 10.7270/Q2BV7FSP |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 200 | 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 cells (CHO) 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 | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 500 | 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)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc
Curated by ChEMBL
| Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production |
J Med Chem 50: 6367-82 (2007)
Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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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 |
NitroMed Inc
Curated by ChEMBL
| Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production |
J Med Chem 50: 6367-82 (2007)
Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dehydrogenase/reductase SDR family member 9
(Homo sapiens (Human)) | 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) | Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Natural Product Research and Infection Biology
Curated by ChEMBL
| Assay Description Inhibition of 3alphaHSD |
Bioorg Med Chem Lett 17: 2558-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Natural Product Research and Infection Biology
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
Bioorg Med Chem Lett 17: 2558-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 7.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Natural Product Research and Infection Biology
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
Bioorg Med Chem Lett 17: 2558-60 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(RAT) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Rorer Central Research
Curated by ChEMBL
| Assay Description Invitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase |
J Med Chem 32: 1836-42 (1989)
Article DOI: 10.1021/jm00128a027 BindingDB Entry DOI: 10.7270/Q2VT1R21 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced lu... |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Cyclooxygenase-2 (COX-2)
(Mus musculus (Mouse)) | 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
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of wild type mouse COX2 by discontinuous radioactive TLC assay |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by discontinuous radioactive TLC assay |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of COX1 (unknown origin)-mediated oxidation of N,N,N,Ntetramethyl-1,4-phenylenediamine using arachidonic acid as substrate by colorimetric... |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Solute carrier family 22 member 6
(Rattus norvegicus) | 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) | Reactome pathway KEGG
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| Article PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MTX uptake in Xenopus laevis oocytes |
Eur J Pharmacol 409: 31-6 (2001)
Article DOI: 10.1016/s0014-2999(00)00837-2 BindingDB Entry DOI: 10.7270/Q20Z74JR |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | 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) | Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells |
J Pharmacol Exp Ther 295: 10-5 (2000)
Article DOI: null BindingDB Entry DOI: 10.7270/Q2TB186W |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 8
(Homo sapiens (Human)) | 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) | Reactome pathway KEGG
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| DrugBank Article PubMed
| 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells |
J Pharmacol Exp Ther 302: 666-71 (2002)
Article DOI: 10.1124/jpet.102.034330 BindingDB Entry DOI: 10.7270/Q2HH6MBN |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | 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) | Reactome pathway KEGG
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| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes |
Mol Pharmacol 55: 847-54 (1999)
Article DOI: null BindingDB Entry DOI: 10.7270/Q28053WW |
More data for this Ligand-Target Pair | |
Multidrug and toxin extrusion protein 1
(Homo sapiens (Human)) | 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) | Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay |
J Med Chem 56: 781-95 (2013)
Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(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
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| Article PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute for Chemical Biology
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid |
J Biol Chem 282: 16379-90 (2007)
Article DOI: 10.1074/jbc.M609883200 BindingDB Entry DOI: 10.7270/Q2X92C5N |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
J Nat Prod 68: 985-91 (2005)
Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Nat Prod 68: 985-91 (2005)
Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.65E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation |
J Nat Prod 61: 1212-5 (1998)
Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation |
J Nat Prod 61: 1212-5 (1998)
Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ |
More data for this Ligand-Target Pair | |
Multidrug resistance protein 1/Multidrug resistance associated protein 1
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 2 (MRP2)
(Homo sapiens (Human)) | 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) | Reactome pathway
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| Article PubMed
| n/a | n/a | 2.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Bos taurus) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (Cyclooxygenase-2)
(Ovis aries (Sheep)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 1.71E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (Cyclooxygenase-2)
(Ovis aries (Sheep)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 1.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production |
J Nat Prod 61: 8-12 (1998)
Article DOI: 10.1021/np970198+ BindingDB Entry DOI: 10.7270/Q2F190NX |
More data for this Ligand-Target Pair | |
Cyclooxygenase-2 (COX-2)
(Mus musculus (Mouse)) | 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
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College London
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 18: 2204-18 (2010)
Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of COX1 |
J Med Chem 51: 2400-11 (2008)
Article DOI: 10.1021/jm701191z BindingDB Entry DOI: 10.7270/Q2Z0391M |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Med Chem 51: 2400-11 (2008)
Article DOI: 10.1021/jm701191z BindingDB Entry DOI: 10.7270/Q2Z0391M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldose reductase (ALR2)
(Bos taurus (Cattle)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of Aldose reductase (AR) |
J Med Chem 44: 1718-28 (2001)
Article DOI: 10.1021/jm000483h BindingDB Entry DOI: 10.7270/Q2N0177X |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory potency of the compound against PGE-2 production in the human whole blood (HWB COX-2) assay |
Bioorg Med Chem Lett 9: 3187-92 (1999)
Article DOI: 10.1016/s0960-894x(99)00560-0 BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | 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
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 446-51 (1982)
Article DOI: 10.1021/jm00346a022 BindingDB Entry DOI: 10.7270/Q28P62QH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | 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
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Antiparasitic activity of the compound against thiamine transporter of Eimeria tenella |
J Med Chem 27: 1317-21 (1984)
Article DOI: 10.1021/jm00376a016 BindingDB Entry DOI: 10.7270/Q25T3NPD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Bos taurus) | 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
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles. |
J Med Chem 27: 1379-88 (1984)
Article DOI: 10.1021/jm00377a001 BindingDB Entry DOI: 10.7270/Q2222X0V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(RAT) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line |
J Med Chem 33: 2070-2 (1990)
Article DOI: 10.1021/jm00170a004 BindingDB Entry DOI: 10.7270/Q2RJ4HGZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Prostaglandin G/H synthase (cyclooxygenase)
(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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay |
J Nat Prod 74: 1779-86 (2011)
Article DOI: 10.1021/np200343t BindingDB Entry DOI: 10.7270/Q26974ND |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Inhibition of COX1 in human whole blood |
Bioorg Med Chem 18: 3910-24 (2010)
Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Inhibition of COX2 in human whole blood |
Bioorg Med Chem 18: 3910-24 (2010)
Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method |
Bioorg Med Chem 18: 3910-24 (2010)
Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method |
Bioorg Med Chem 18: 3910-24 (2010)
Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |