Found 224 hits with Last Name = 'cromlish' and Initial = 'wa' 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)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
PubMed
| n/a | n/a | 2 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
PubMed
| n/a | n/a | 2 | 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 2 expressed in microsomes taken from baculovirus infected Sf... |
Bioorg Med Chem Lett 6: 87-92 (1996)
Article DOI: 10.1016/0960-894X(95)00564-A
BindingDB Entry DOI: 10.7270/Q20C4VR4 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082343
(3-(4-Chloro-phenoxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Cl)cc2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C19H17ClO5S/c1-19(2)16(12-4-10-15(11-5-12)26(3,22)23)17(18(21)25-19)24-14-8-6-13(20)7-9-14/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
Patents
Similars
| PubMed
| n/a | n/a | 10 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082353
(3-(3,4-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-7-13(8-5-11)27(3,23)24)17(18(22)26-19)25-12-6-9-14(20)15(21)10-12/h4-10H,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
| PubMed
| n/a | n/a | 10 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082369
(3-(5-Chloro-pyridin-2-yloxy)-4-(4-methanesulfonyl-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Cl)cn2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C18H16ClNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,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
| PubMed
| n/a | n/a | <10 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50289297
(6-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C18H12F2N2O2S2/c1-26(23,24)13-5-2-11(3-6-13)17-16(21-18-22(17)8-9-25-18)12-4-7-14(19)15(20)10-12/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50289302
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-imi...)Show SMILES Cc1cn2c(c(nc2s1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-8-10-16(11-9-15)25(2,22)23)17(20-19(21)24-13)14-6-4-3-5-7-14/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
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50289298
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-i...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)20-18-21(17)10-11-24-18/h2-11H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50289299
(2-Chloro-6-(4-chloro-phenyl)-5-(4-methanesulfonyl-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H12Cl2N2O2S2/c1-26(23,24)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)21-18-22(17)10-15(20)25-18/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50289303
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-3,5-dihydro-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1 Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-23-18/h2-12H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-1 enzyme in human whole blood was determined |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 18 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
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
PubMed
| n/a | n/a | 20 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082369
(3-(5-Chloro-pyridin-2-yloxy)-4-(4-methanesulfonyl-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Cl)cn2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C18H16ClNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,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
| PubMed
| n/a | n/a | 20 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082348
(3-(2,4-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)cc2F)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-7-13(8-5-11)27(3,23)24)17(18(22)26-19)25-15-9-6-12(20)10-14(15)21/h4-10H,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
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082349
(3-(3-Fluoro-phenoxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C19H17FO5S/c1-19(2)16(12-7-9-15(10-8-12)26(3,22)23)17(18(21)25-19)24-14-6-4-5-13(20)11-14/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
Patents
Similars
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082343
(3-(4-Chloro-phenoxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Cl)cc2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C19H17ClO5S/c1-19(2)16(12-4-10-15(11-5-12)26(3,22)23)17(18(21)25-19)24-14-8-6-13(20)7-9-14/h4-11H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 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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| n/a | n/a | 20 | 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 COX-1 in U-937 (human lymphoma) cell microsomes. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082370
(3-(Benzo[b]thiophen-5-yloxy)-4-(4-methanesulfonyl-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc3sccc3c2)=C1c1ccc(cc1)S(C)(=O)=O |c:18| Show InChI InChI=1S/C21H18O5S2/c1-21(2)18(13-4-7-16(8-5-13)28(3,23)24)19(20(22)26-21)25-15-6-9-17-14(12-15)10-11-27-17/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
| PubMed
| n/a | n/a | 20 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082354
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-o-toly...)Show SMILES Cc1ccccc1OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O |c:9| Show InChI InChI=1S/C20H20O5S/c1-13-7-5-6-8-16(13)24-18-17(20(2,3)25-19(18)21)14-9-11-15(12-10-14)26(4,22)23/h5-12H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082345
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-m-toly...)Show SMILES Cc1cccc(OC2=C(c3ccc(cc3)S(C)(=O)=O)C(C)(C)OC2=O)c1 |c:7| Show InChI InChI=1S/C20H20O5S/c1-13-6-5-7-15(12-13)24-18-17(20(2,3)25-19(18)21)14-8-10-16(11-9-14)26(4,22)23/h5-12H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082375
(3-(5-Bromo-pyridin-2-yloxy)-4-(4-methanesulfonyl-p...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Br)cn2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C18H16BrNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,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
| PubMed
| n/a | n/a | 20 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082356
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-p-toly...)Show SMILES Cc1ccc(OC2=C(c3ccc(cc3)S(C)(=O)=O)C(C)(C)OC2=O)cc1 |c:6| Show InChI InChI=1S/C20H20O5S/c1-13-5-9-15(10-6-13)24-18-17(20(2,3)25-19(18)21)14-7-11-16(12-8-14)26(4,22)23/h5-12H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
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
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CHEMBL
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| PDB
PubMed
| n/a | n/a | 20 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082346
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenox...)Show SMILES CC1(C)OC(=O)C(Oc2ccccc2)=C1c1ccc(cc1)S(C)(=O)=O |c:14| Show InChI InChI=1S/C19H18O5S/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)24-19)23-14-7-5-4-6-8-14/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
| PubMed
| n/a | n/a | 20 | 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 potency against human COX-1 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin 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
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
PubMed
| 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
In vitro inhibitory potency against human COX-1 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin 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
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
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UniChem
Patents
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| DrugBank
PDB
PubMed
| 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin 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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CHEMBL
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PC cid
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UniChem
Patents
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| DrugBank
PDB
Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082359
(3-(1H-Indol-5-yloxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc3[nH]ccc3c2)=C1c1ccc(cc1)S(C)(=O)=O |c:18| Show InChI InChI=1S/C21H19NO5S/c1-21(2)18(13-4-7-16(8-5-13)28(3,24)25)19(20(23)27-21)26-15-6-9-17-14(12-15)10-11-22-17/h4-12,22H,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
| PubMed
| n/a | n/a | 30 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082375
(3-(5-Bromo-pyridin-2-yloxy)-4-(4-methanesulfonyl-p...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(Br)cn2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C18H16BrNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,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
| PubMed
| n/a | n/a | 30 | 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082365
(3-(5-Cyclopropyl-pyridin-2-yloxy)-4-(4-methanesulf...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(cn2)C2CC2)=C1c1ccc(cc1)S(C)(=O)=O |c:18| Show InChI InChI=1S/C21H21NO5S/c1-21(2)18(14-6-9-16(10-7-14)28(3,24)25)19(20(23)27-21)26-17-11-8-15(12-22-17)13-4-5-13/h6-13H,4-5H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50286048
(2-Bromo-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1csc(Br)c1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(18)16(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 2 expressed in microsomes taken from baculovirus infected Sf... |
Bioorg Med Chem Lett 6: 87-92 (1996)
Article DOI: 10.1016/0960-894X(95)00564-A
BindingDB Entry DOI: 10.7270/Q20C4VR4 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082352
(3-(3,5-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-6-15(7-5-11)27(3,23)24)17(18(22)26-19)25-14-9-12(20)8-13(21)10-14/h4-10H,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
| PubMed
| n/a | n/a | 40 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082373
(3-(3,5-Dichloro-pyridin-2-yloxy)-4-(4-methanesulfo...)Show SMILES CC1(C)OC(=O)C(Oc2ncc(Cl)cc2Cl)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C18H15Cl2NO5S/c1-18(2)14(10-4-6-12(7-5-10)27(3,23)24)15(17(22)26-18)25-16-13(20)8-11(19)9-21-16/h4-9H,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
| PubMed
| n/a | n/a | 40 | 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 PGE-2 production in CHO cells expressing human COX-2. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082356
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-p-toly...)Show SMILES Cc1ccc(OC2=C(c3ccc(cc3)S(C)(=O)=O)C(C)(C)OC2=O)cc1 |c:6| Show InChI InChI=1S/C20H20O5S/c1-13-5-9-15(10-6-13)24-18-17(20(2,3)25-19(18)21)14-7-11-16(12-8-14)26(4,22)23/h5-12H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082371
(3-(5-Fluoro-pyridin-2-yloxy)-4-(4-methanesulfonyl-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)cn2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C18H16FNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 40 | 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082373
(3-(3,5-Dichloro-pyridin-2-yloxy)-4-(4-methanesulfo...)Show SMILES CC1(C)OC(=O)C(Oc2ncc(Cl)cc2Cl)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C18H15Cl2NO5S/c1-18(2)14(10-4-6-12(7-5-10)27(3,23)24)15(17(22)26-18)25-16-13(20)8-11(19)9-21-16/h4-9H,1-3H3 | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | 40 | 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)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082346
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenox...)Show SMILES CC1(C)OC(=O)C(Oc2ccccc2)=C1c1ccc(cc1)S(C)(=O)=O |c:14| Show InChI InChI=1S/C19H18O5S/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)24-19)23-14-7-5-4-6-8-14/h4-12H,1-3H3 | PDB
MMDB
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| n/a | n/a | 40 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082344
(3-(3-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5...)Show SMILES CC1(C)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1cccc(F)c1 |c:6| Show InChI InChI=1S/C19H17FO4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13/h4-11H,1-3H3 | PDB
MMDB
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CHEMBL
MCE
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| n/a | n/a | 40 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082348
(3-(2,4-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)cc2F)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-7-13(8-5-11)27(3,23)24)17(18(22)26-19)25-15-9-6-12(20)10-14(15)21/h4-10H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 40 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082352
(3-(3,5-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-6-15(7-5-11)27(3,23)24)17(18(22)26-19)25-14-9-12(20)8-13(21)10-14/h4-10H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 40 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 50 | 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 potency against human COX-2 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082351
(3-(4-Fluoro-phenoxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)cc2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C19H17FO5S/c1-19(2)16(12-4-10-15(11-5-12)26(3,22)23)17(18(21)25-19)24-14-8-6-13(20)7-9-14/h4-11H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| n/a | n/a | 50 | 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 potency against U-937 microsomal COX-1 |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 50 | 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 COX-1 in U-937 (human lymphoma) cell microsomes. |
Bioorg Med Chem Lett 9: 3187-92 (1999)
BindingDB Entry DOI: 10.7270/Q2KK9B09 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
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| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082353
(3-(3,4-Difluoro-phenoxy)-4-(4-methanesulfonyl-phen...)Show SMILES CC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-7-13(8-5-11)27(3,23)24)17(18(22)26-19)25-12-6-9-14(20)15(21)10-12/h4-10H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 60 | 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 potency against human COX-1 (HWB COX-2) by whole blood assay |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082349
(3-(3-Fluoro-phenoxy)-4-(4-methanesulfonyl-phenyl)-...)Show SMILES CC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(cc1)S(C)(=O)=O |c:15| Show InChI InChI=1S/C19H17FO5S/c1-19(2)16(12-7-9-15(10-8-12)26(3,22)23)17(18(21)25-19)24-14-6-4-5-13(20)11-14/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
Patents
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| PubMed
| n/a | n/a | 70 | 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 potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50082350
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenyl...)Show SMILES CC1(C)OC(=O)C(Sc2ccccc2)=C1c1ccc(cc1)S(C)(=O)=O |c:14| Show InChI InChI=1S/C19H18O4S2/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)23-19)24-14-7-5-4-6-8-14/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
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| PubMed
| n/a | n/a | 70 | 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 potency against U-937 microsomal COX-1 |
Bioorg Med Chem Lett 9: 3181-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QC02Q5 |
More data for this
Ligand-Target Pair | |
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