BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50015125   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151775
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-me...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151760
PNG
(3-(4-Fluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151758
PNG
(3-(2-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-15(9-12-5-3-4-6-16(12)18)14-8-7-13(22(2,20)21)10-17(14)19-11/h3-8,10,19H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151763
PNG
(3-(4-Fluoro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16FNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151762
PNG
(3-(2,4-Dichloro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H13Cl2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151768
PNG
(3-(2-Chloro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11ClN2O2S2/c1-23(20,21)10-6-7-11-13(8-10)19-14(9-18)16(11)22-15-5-3-2-4-12(15)17/h2-8,19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151759
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151773
PNG
(4-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-9-7-12(21-2)8-10-13)16-14(18-11)5-4-6-15(16)23(3,19)20/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151782
PNG
(3-(2,4-Difluoro-benzyl)-6-methanesulfonyl-2-methyl...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H15F2NO2S/c1-10-15(7-11-3-4-12(18)8-16(11)19)14-6-5-13(23(2,21)22)9-17(14)20-10/h3-6,8-9,20H,7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151766
PNG
(3-(4-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151783
PNG
(6-Methanesulfonyl-3-(4-methoxy-benzyl)-2-methyl-1H...)
Show SMILES COc1ccc(Cc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H19NO3S/c1-12-17(10-13-4-6-14(22-2)7-5-13)16-9-8-15(23(3,20)21)11-18(16)19-12/h4-9,11,19H,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151767
PNG
(3-(4-Chloro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14ClNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151770
PNG
(3-(2-Chloro-4-methoxy-phenylsulfanyl)-6-methanesul...)
Show SMILES COc1ccc(Sc2c([nH]c3cc(ccc23)S(C)(=O)=O)C#N)c(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S2/c1-23-10-3-6-16(13(18)7-10)24-17-12-5-4-11(25(2,21)22)8-14(12)20-15(17)9-19/h3-8,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151776
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151776
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151784
PNG
(CHEMBL184022 | [3-(4-Fluoro-phenylsulfanyl)-6-meth...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151774
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenylsulfanyl)-2-m...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO3S2/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151768
PNG
(3-(2-Chloro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11ClN2O2S2/c1-23(20,21)10-6-7-11-13(8-10)19-14(9-18)16(11)22-15-5-3-2-4-12(15)17/h2-8,19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151779
PNG
((4-Fluoro-phenyl)-(6-methanesulfonyl-2-methyl-1H-i...)
Show SMILES Cc1[nH]c2cc(ccc2c1C(=O)c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO3S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-8-7-13(23(2,21)22)9-15(14)19-10/h3-9,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151772
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO2S2/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151777
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151764
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151771
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11FN2O2S2/c1-23(20,21)12-6-7-13-14(8-12)19-15(9-18)16(13)22-11-4-2-10(17)3-5-11/h2-8,19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151778
PNG
((6-Methanesulfonyl-2-methyl-1H-indol-3-yl)-(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)[nH]c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO4S/c1-11-17(18(20)12-4-6-13(23-2)7-5-12)15-9-8-14(24(3,21)22)10-16(15)19-11/h4-10,19H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151770
PNG
(3-(2-Chloro-4-methoxy-phenylsulfanyl)-6-methanesul...)
Show SMILES COc1ccc(Sc2c([nH]c3cc(ccc23)S(C)(=O)=O)C#N)c(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S2/c1-23-10-3-6-16(13(18)7-10)24-17-12-5-4-11(25(2,21)22)8-14(12)20-15(17)9-19/h3-8,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151777
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151780
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H13FN2O3S2/c1-24(21,22)11-6-7-12-13(8-11)19-14(16(18)20)15(12)23-10-4-2-9(17)3-5-10/h2-8,19H,1H3,(H2,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151764
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.27E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151773
PNG
(4-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-9-7-12(21-2)8-10-13)16-14(18-11)5-4-6-15(16)23(3,19)20/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151759
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151779
PNG
((4-Fluoro-phenyl)-(6-methanesulfonyl-2-methyl-1H-i...)
Show SMILES Cc1[nH]c2cc(ccc2c1C(=O)c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO3S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-8-7-13(23(2,21)22)9-15(14)19-10/h3-9,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151769
PNG
(6-Methanesulfonyl-2-methyl-3-(pyridin-2-ylsulfanyl...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccccn1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N2O2S2/c1-10-15(20-14-5-3-4-8-16-14)12-7-6-11(21(2,18)19)9-13(12)17-10/h3-9,17H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151760
PNG
(3-(4-Fluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151775
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-me...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151761
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H12F2N2O3S2/c1-25(22,23)9-3-4-10-12(7-9)20-14(16(19)21)15(10)24-13-5-2-8(17)6-11(13)18/h2-7,20H,1H3,(H2,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.24E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151771
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11FN2O2S2/c1-23(20,21)12-6-7-13-14(8-12)19-15(9-18)16(13)22-11-4-2-10(17)3-5-11/h2-8,19H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50151779
PNG
((4-Fluoro-phenyl)-(6-methanesulfonyl-2-methyl-1H-i...)
Show SMILES Cc1[nH]c2cc(ccc2c1C(=O)c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO3S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-8-7-13(23(2,21)22)9-15(14)19-10/h3-9,19H,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151778
PNG
((6-Methanesulfonyl-2-methyl-1H-indol-3-yl)-(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)[nH]c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO4S/c1-11-17(18(20)12-4-6-13(23-2)7-5-12)15-9-8-14(24(3,21)22)10-16(15)19-11/h4-10,19H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50151778
PNG
((6-Methanesulfonyl-2-methyl-1H-indol-3-yl)-(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)[nH]c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO4S/c1-11-17(18(20)12-4-6-13(23-2)7-5-12)15-9-8-14(24(3,21)22)10-16(15)19-11/h4-10,19H,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151767
PNG
(3-(4-Chloro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14ClNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151762
PNG
(3-(2,4-Dichloro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H13Cl2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151774
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenylsulfanyl)-2-m...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO3S2/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151783
PNG
(6-Methanesulfonyl-3-(4-methoxy-benzyl)-2-methyl-1H...)
Show SMILES COc1ccc(Cc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H19NO3S/c1-12-17(10-13-4-6-14(22-2)7-5-13)16-9-8-15(23(3,20)21)11-18(16)19-12/h4-9,11,19H,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151769
PNG
(6-Methanesulfonyl-2-methyl-3-(pyridin-2-ylsulfanyl...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccccn1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N2O2S2/c1-10-15(20-14-5-3-4-8-16-14)12-7-6-11(21(2,18)19)9-13(12)17-10/h3-9,17H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151758
PNG
(3-(2-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-15(9-12-5-3-4-6-16(12)18)14-8-7-13(22(2,20)21)10-17(14)19-11/h3-8,10,19H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151766
PNG
(3-(4-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151784
PNG
(CHEMBL184022 | [3-(4-Fluoro-phenylsulfanyl)-6-meth...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50151759
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 83 total )  |  Next  |  Last  >>
Jump to: