Found 83 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150210
(3-(2-Fluoro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C20H17FO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150211
(3-(2,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phen...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14F2O5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150226
(3-(4-Bromo-2-fluoro-phenoxy)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14BrFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150202
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-o-tolyloxy...)Show SMILES Cc1cc(=O)c(Oc2ccccc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O5S/c1-13-6-4-5-7-18(13)25-20-17(21)12-14(2)24-19(20)15-8-10-16(11-9-15)26(3,22)23/h4-12H,1-3H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150193
(3-(2-Chloro-4-methoxy-phenoxy)-2-(4-methanesulfony...)Show SMILES COc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C20H17ClO6S/c1-12-10-17(22)20(27-18-9-6-14(25-2)11-16(18)21)19(26-12)13-4-7-15(8-5-13)28(3,23)24/h4-11H,1-3H3 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150215
(3-(4-Fluoro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17FO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150197
(3-(4-Chloro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17ClO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150185
(3-(4-Chloro-2-fluoro-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14ClFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150224
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyloxy...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18O5S/c1-13-4-8-16(9-5-13)25-20-18(21)12-14(2)24-19(20)15-6-10-17(11-7-15)26(3,22)23/h4-12H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150225
(3-(2-Chloro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C20H17ClO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3 | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150198
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150194
(3-(4-Chloro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15ClO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150222
(3-(4-Bromo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15BrO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150212
(3-(4-Iodo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-...)Show SMILES Cc1cc(=O)c(Oc2ccc(I)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15IO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150214
(3-(3,4-Dichloro-phenyl)-2-(4-methanesulfonyl-pheny...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14Cl2O4S/c1-11-9-17(22)18(13-5-8-15(20)16(21)10-13)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50072064
(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150218
(3-(4-Fluoro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150199
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenoxy-py...)Show SMILES Cc1cc(=O)c(Oc2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16O5S/c1-13-12-17(20)19(24-15-6-4-3-5-7-15)18(23-13)14-8-10-16(11-9-14)25(2,21)22/h3-12H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150216
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150204
(3-(2,4-Difluoro-phenyl)-2-(4-methanesulfonyl-pheny...)Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.05,-1.57,;2.71,-.79,;2.71,.76,;1.37,1.53,;1.37,3.07,;.05,.76,;-1.3,1.53,;-2.62,.76,;-3.96,1.53,;-3.96,3.07,;-5.28,3.83,;-2.62,3.83,;-1.3,3.07,;-.2,4.16,;.05,-.79,;1.37,-1.56,;-1.3,-1.56,;-1.3,-3.1,;-2.62,-3.87,;-3.95,-3.1,;-3.95,-1.56,;-2.62,-.79,;-5.3,-3.89,;-6.61,-4.66,;-6.08,-2.55,;-4.51,-5.22,)| Show InChI InChI=1S/C19H14F2O4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150220
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-m-tolyloxy...)Show SMILES Cc1cccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C20H18O5S/c1-13-5-4-6-16(11-13)25-20-18(21)12-14(2)24-19(20)15-7-9-17(10-8-15)26(3,22)23/h4-12H,1-3H3 | 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 | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150221
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)Show SMILES Cc1cc(=O)c(Oc2ccc(OC(F)(F)F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15F3O6S/c1-12-11-17(24)19(28-14-5-7-15(8-6-14)29-20(21,22)23)18(27-12)13-3-9-16(10-4-13)30(2,25)26/h3-11H,1-2H3 | 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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150187
(3-Cyclohexyl-2-(4-methanesulfonyl-phenyl)-6-methyl...)Show SMILES Cc1cc(=O)c(C2CCCCC2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22O4S/c1-13-12-17(20)18(14-6-4-3-5-7-14)19(23-13)15-8-10-16(11-9-15)24(2,21)22/h8-12,14H,3-7H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150196
(3-(4-Amino-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(Oc2ccc(N)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H17NO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,20H2,1-2H3 | 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 | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150207
(3-(2-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccccc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.05,-1.57,;2.71,-.79,;2.71,.76,;1.37,1.53,;1.37,3.07,;.05,.76,;-1.3,1.53,;-2.62,.76,;-3.96,1.53,;-3.96,3.07,;-2.62,3.83,;-1.3,3.07,;.03,3.84,;.05,-.79,;1.37,-1.56,;-1.3,-1.56,;-1.3,-3.1,;-2.62,-3.87,;-3.95,-3.1,;-3.95,-1.56,;-2.62,-.79,;-5.3,-3.89,;-6.61,-4.66,;-4.51,-5.22,;-6.08,-2.55,)| Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(15-5-3-4-6-16(15)20)19(24-12)13-7-9-14(10-8-13)25(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150186
(3-(4-Bromo-phenyl)-2-(4-methanesulfonyl-phenyl)-6-...)Show SMILES Cc1cc(=O)c(-c2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15BrO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150195
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenyl-pyr...)Show SMILES Cc1cc(=O)c(-c2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16O4S/c1-13-12-17(20)18(14-6-4-3-5-7-14)19(23-13)15-8-10-16(11-9-15)24(2,21)22/h3-12H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150203
(3-(4-Chloro-2-fluoro-phenyl)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.06,-1.57,;2.71,-.79,;2.71,.76,;1.38,1.53,;1.38,3.07,;.05,.76,;-1.3,1.53,;-2.63,.76,;-3.96,1.53,;-3.96,3.07,;-5.31,3.87,;-2.63,3.84,;-1.3,3.07,;.05,3.87,;.05,-.79,;1.38,-1.56,;-1.3,-1.56,;-1.3,-3.11,;-2.63,-3.88,;-3.96,-3.11,;-3.96,-1.56,;-2.63,-.79,;-5.31,-3.9,;-6.65,-4.67,;-6.09,-2.55,;-4.52,-5.23,)| Show InChI InChI=1S/C19H14ClFO4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | 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 | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150189
(3-(4-Chloro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15ClO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150217
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...)Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150190
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)C(F)(F)F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15F3O5S/c1-12-11-17(24)19(28-15-7-5-14(6-8-15)20(21,22)23)18(27-12)13-3-9-16(10-4-13)29(2,25)26/h3-11H,1-2H3 | 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 | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150209
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-naphthalen...)Show SMILES Cc1cc(=O)c(-c2ccc3ccccc3c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H18O4S/c1-15-13-21(24)22(19-8-7-16-5-3-4-6-18(16)14-19)23(27-15)17-9-11-20(12-10-17)28(2,25)26/h3-14H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150188
(3-(3-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2cccc(F)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO4S/c1-12-10-17(21)18(14-4-3-5-15(20)11-14)19(24-12)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150208
(3-(3,4-Dichloro-phenoxy)-2-(4-methanesulfonyl-phen...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)c(Cl)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14Cl2O5S/c1-11-9-17(22)19(26-13-5-8-15(20)16(21)10-13)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | 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 | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150191
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-nitro-p...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15NO7S/c1-12-11-17(21)19(27-15-7-5-14(6-8-15)20(22)23)18(26-12)13-3-9-16(10-4-13)28(2,24)25/h3-11H,1-2H3 | 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 | 3.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150219
(3-(3,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phen...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)c(F)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14F2O5S/c1-11-9-17(22)19(26-13-5-8-15(20)16(21)10-13)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | 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 | 4.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150223
(3-Benzyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyr...)Show SMILES Cc1cc(=O)c(Cc2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-14-12-19(21)18(13-15-6-4-3-5-7-15)20(24-14)16-8-10-17(11-9-16)25(2,22)23/h3-12H,13H2,1-2H3 | 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 | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150213
(3-Isopropyl-2-(4-methanesulfonyl-phenyl)-6-methyl-...)Show InChI InChI=1S/C16H18O4S/c1-10(2)15-14(17)9-11(3)20-16(15)12-5-7-13(8-6-12)21(4,18)19/h5-10H,1-4H3 | 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 | 6.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150205
(4-(6-Methyl-4-oxo-3-phenyl-4H-pyran-2-yl)-benzenes...)Show SMILES Cc1cc(=O)c(-c2ccccc2)c(o1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15NO4S/c1-12-11-16(20)17(13-5-3-2-4-6-13)18(23-12)14-7-9-15(10-8-14)24(19,21)22/h2-11H,1H3,(H2,19,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150210
(3-(2-Fluoro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C20H17FO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150206
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)Show SMILES Cc1cc(=O)c(-c2ccc(cc2)C(F)(F)F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15F3O4S/c1-12-11-17(24)18(13-3-7-15(8-4-13)20(21,22)23)19(27-12)14-5-9-16(10-6-14)28(2,25)26/h3-11H,1-2H3 | 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 | 6.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150227
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccc(cc2)S(C)(=O)=O)c(o1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(13-5-9-16(10-6-13)25(2,22)23)19(24-12)14-3-7-15(20)8-4-14/h3-11H,1-2H3 | 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 | 9.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150229
(4-[3-(4-Fluoro-phenyl)-6-methyl-4-oxo-4H-pyran-2-y...)Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2)c(o1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H14FNO4S/c1-11-10-16(21)17(12-2-6-14(19)7-3-12)18(24-11)13-4-8-15(9-5-13)25(20,22)23/h2-10H,1H3,(H2,20,22,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150228
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-pentafl...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)C(F)(F)C(F)(F)F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H15F5O5S/c1-12-11-17(27)19(18(30-12)13-3-9-16(10-4-13)32(2,28)29)31-15-7-5-14(6-8-15)20(22,23)21(24,25)26/h3-11H,1-2H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150201
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(5,6,7,8-t...)Show SMILES Cc1cc(=O)c(-c2ccc3CCCCc3c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H22O4S/c1-15-13-21(24)22(19-8-7-16-5-3-4-6-18(16)14-19)23(27-15)17-9-11-20(12-10-17)28(2,25)26/h7-14H,3-6H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150200
(4-[2-(4-Methanesulfonyl-phenyl)-6-methyl-4-oxo-4H-...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)C(O)=O)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H16O7S/c1-12-11-17(21)19(27-15-7-3-14(4-8-15)20(22)23)18(26-12)13-5-9-16(10-6-13)28(2,24)25/h3-11H,1-2H3,(H,22,23) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50150192
(4-[2-(4-Methanesulfonyl-phenyl)-6-methyl-4-oxo-4H-...)Show SMILES COC(=O)c1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H18O7S/c1-13-12-18(22)20(28-16-8-4-15(5-9-16)21(23)26-2)19(27-13)14-6-10-17(11-7-14)29(3,24)25/h4-12H,1-3H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150193
(3-(2-Chloro-4-methoxy-phenoxy)-2-(4-methanesulfony...)Show SMILES COc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C20H17ClO6S/c1-12-10-17(22)20(27-18-9-6-14(25-2)11-16(18)21)19(26-12)13-4-7-15(8-5-13)28(3,23)24/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150225
(3-(2-Chloro-4-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C20H17ClO5S/c1-12-4-9-18(16(21)10-12)26-20-17(22)11-13(2)25-19(20)14-5-7-15(8-6-14)27(3,23)24/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150185
(3-(4-Chloro-2-fluoro-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14ClFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150215
(3-(4-Fluoro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17FO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150211
(3-(2,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phen...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14F2O5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150226
(3-(4-Bromo-2-fluoro-phenoxy)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14BrFO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150202
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-o-tolyloxy...)Show SMILES Cc1cc(=O)c(Oc2ccccc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O5S/c1-13-6-4-5-7-18(13)25-20-17(21)12-14(2)24-19(20)15-8-10-16(11-9-15)26(3,22)23/h4-12H,1-3H3 | PDB
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PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150198
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
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| n/a | n/a | 3.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150197
(3-(4-Chloro-2-methyl-phenoxy)-2-(4-methanesulfonyl...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2C)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17ClO5S/c1-12-10-15(21)6-9-18(12)26-20-17(22)11-13(2)25-19(20)14-4-7-16(8-5-14)27(3,23)24/h4-11H,1-3H3 | PDB
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| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150214
(3-(3,4-Dichloro-phenyl)-2-(4-methanesulfonyl-pheny...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14Cl2O4S/c1-11-9-17(22)18(13-5-8-15(20)16(21)10-13)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | PDB
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| n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150224
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyloxy...)Show SMILES Cc1ccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18O5S/c1-13-4-8-16(9-5-13)25-20-18(21)12-14(2)24-19(20)15-6-10-17(11-7-15)26(3,22)23/h4-12H,1-3H3 | PDB
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| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50072064
(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | 9.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150217
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-py...)Show SMILES Cc1ccc(cc1)-c1c(oc(C)cc1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18O4S/c1-13-4-6-15(7-5-13)19-18(21)12-14(2)24-20(19)16-8-10-17(11-9-16)25(3,22)23/h4-12H,1-3H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150207
(3-(2-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccccc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.05,-1.57,;2.71,-.79,;2.71,.76,;1.37,1.53,;1.37,3.07,;.05,.76,;-1.3,1.53,;-2.62,.76,;-3.96,1.53,;-3.96,3.07,;-2.62,3.83,;-1.3,3.07,;.03,3.84,;.05,-.79,;1.37,-1.56,;-1.3,-1.56,;-1.3,-3.1,;-2.62,-3.87,;-3.95,-3.1,;-3.95,-1.56,;-2.62,-.79,;-5.3,-3.89,;-6.61,-4.66,;-4.51,-5.22,;-6.08,-2.55,)| Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(15-5-3-4-6-16(15)20)19(24-12)13-7-9-14(10-8-13)25(2,22)23/h3-11H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150189
(3-(4-Chloro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15ClO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
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| Article
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150199
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenoxy-py...)Show SMILES Cc1cc(=O)c(Oc2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16O5S/c1-13-12-17(20)19(24-15-6-4-3-5-7-15)18(23-13)14-8-10-16(11-9-14)25(2,21)22/h3-12H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150220
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-m-tolyloxy...)Show SMILES Cc1cccc(Oc2c(oc(C)cc2=O)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C20H18O5S/c1-13-5-4-6-16(11-13)25-20-18(21)12-14(2)24-19(20)15-7-9-17(10-8-15)26(3,22)23/h4-12H,1-3H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150188
(3-(3-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2cccc(F)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO4S/c1-12-10-17(21)18(14-4-3-5-15(20)11-14)19(24-12)13-6-8-16(9-7-13)25(2,22)23/h3-11H,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150195
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenyl-pyr...)Show SMILES Cc1cc(=O)c(-c2ccccc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16O4S/c1-13-12-17(20)18(14-6-4-3-5-7-14)19(23-13)15-8-10-16(11-9-15)24(2,21)22/h3-12H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150216
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150196
(3-(4-Amino-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(Oc2ccc(N)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H17NO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,20H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150221
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)Show SMILES Cc1cc(=O)c(Oc2ccc(OC(F)(F)F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15F3O6S/c1-12-11-17(24)19(28-14-5-7-15(8-6-14)29-20(21,22)23)18(27-12)13-3-9-16(10-4-13)30(2,25)26/h3-11H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150203
(3-(4-Chloro-2-fluoro-phenyl)-2-(4-methanesulfonyl-...)Show SMILES Cc1cc(=O)c(-c2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.06,-1.57,;2.71,-.79,;2.71,.76,;1.38,1.53,;1.38,3.07,;.05,.76,;-1.3,1.53,;-2.63,.76,;-3.96,1.53,;-3.96,3.07,;-5.31,3.87,;-2.63,3.84,;-1.3,3.07,;.05,3.87,;.05,-.79,;1.38,-1.56,;-1.3,-1.56,;-1.3,-3.11,;-2.63,-3.88,;-3.96,-3.11,;-3.96,-1.56,;-2.63,-.79,;-5.31,-3.9,;-6.65,-4.67,;-6.09,-2.55,;-4.52,-5.23,)| Show InChI InChI=1S/C19H14ClFO4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | PDB
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150186
(3-(4-Bromo-phenyl)-2-(4-methanesulfonyl-phenyl)-6-...)Show SMILES Cc1cc(=O)c(-c2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15BrO4S/c1-12-11-17(21)18(13-3-7-15(20)8-4-13)19(24-12)14-5-9-16(10-6-14)25(2,22)23/h3-11H,1-2H3 | PDB
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150209
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-naphthalen...)Show SMILES Cc1cc(=O)c(-c2ccc3ccccc3c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H18O4S/c1-15-13-21(24)22(19-8-7-16-5-3-4-6-18(16)14-19)23(27-15)17-9-11-20(12-10-17)28(2,25)26/h3-14H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150187
(3-Cyclohexyl-2-(4-methanesulfonyl-phenyl)-6-methyl...)Show SMILES Cc1cc(=O)c(C2CCCCC2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22O4S/c1-13-12-17(20)18(14-6-4-3-5-7-14)19(23-13)15-8-10-16(11-9-15)24(2,21)22/h8-12,14H,3-7H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150204
(3-(2,4-Difluoro-phenyl)-2-(4-methanesulfonyl-pheny...)Show SMILES Cc1cc(=O)c(-c2ccc(F)cc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.05,-1.57,;2.71,-.79,;2.71,.76,;1.37,1.53,;1.37,3.07,;.05,.76,;-1.3,1.53,;-2.62,.76,;-3.96,1.53,;-3.96,3.07,;-5.28,3.83,;-2.62,3.83,;-1.3,3.07,;-.2,4.16,;.05,-.79,;1.37,-1.56,;-1.3,-1.56,;-1.3,-3.1,;-2.62,-3.87,;-3.95,-3.1,;-3.95,-1.56,;-2.62,-.79,;-5.3,-3.89,;-6.61,-4.66,;-6.08,-2.55,;-4.51,-5.22,)| Show InChI InChI=1S/C19H14F2O4S/c1-11-9-17(22)18(15-8-5-13(20)10-16(15)21)19(25-11)12-3-6-14(7-4-12)26(2,23)24/h3-10H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150208
(3-(3,4-Dichloro-phenoxy)-2-(4-methanesulfonyl-phen...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)c(Cl)c2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H14Cl2O5S/c1-11-9-17(22)19(26-13-5-8-15(20)16(21)10-13)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3 | PDB
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| CHEMBL
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PC sid
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150212
(3-(4-Iodo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-...)Show SMILES Cc1cc(=O)c(Oc2ccc(I)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15IO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150191
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-nitro-p...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)[N+]([O-])=O)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15NO7S/c1-12-11-17(21)19(27-15-7-5-14(6-8-15)20(22)23)18(26-12)13-3-9-16(10-4-13)28(2,24)25/h3-11H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150190
(2-(4-Methanesulfonyl-phenyl)-6-methyl-3-(4-trifluo...)Show SMILES Cc1cc(=O)c(Oc2ccc(cc2)C(F)(F)F)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15F3O5S/c1-12-11-17(24)19(28-15-7-5-14(6-8-15)20(21,22)23)18(27-12)13-3-9-16(10-4-13)29(2,25)26/h3-11H,1-2H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150218
(3-(4-Fluoro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)Show SMILES Cc1cc(=O)c(Oc2ccc(F)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15FO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150222
(3-(4-Bromo-phenoxy)-2-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15BrO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
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PubMed
| n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50150194
(3-(4-Chloro-phenoxy)-2-(4-methanesulfonyl-phenyl)-...)Show SMILES Cc1cc(=O)c(Oc2ccc(Cl)cc2)c(o1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H15ClO5S/c1-12-11-17(21)19(25-15-7-5-14(20)6-8-15)18(24-12)13-3-9-16(10-4-13)26(2,22)23/h3-11H,1-2H3 | PDB
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PubMed
| n/a | n/a | 2.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood |
J Med Chem 47: 3874-86 (2004)
Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX |
More data for this
Ligand-Target Pair | |
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