BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50047001   
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
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142932
PNG
(CHEMBL3759842)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(12-15-29-14-3-13-24)16-23(26(17)21-8-6-20(25)7-9-21)18-4-10-22(11-5-18)30(2,27)28/h4-11,16H,3,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142937
PNG
(CHEMBL3759726)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H26FNO3S/c1-4-13-28-14-12-19-15-23(18-8-10-22(11-9-18)29(3,26)27)25(17(19)2)21-7-5-6-20(24)16-21/h5-11,15-16H,4,12-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142935
PNG
(CHEMBL3759195)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2NO3S/c1-16-18(11-13-28-14-12-23)15-22(25(16)20-7-5-19(24)6-8-20)17-3-9-21(10-4-17)29(2,26)27/h3-10,15H,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142936
PNG
(CHEMBL3758384)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H25F2NO3S/c1-4-12-29-13-11-18-14-23(17-5-8-20(9-6-17)30(3,27)28)26(16(18)2)19-7-10-21(24)22(25)15-19/h5-10,14-15H,4,11-13H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142930
PNG
(CHEMBL3759435)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H24F3NO3S/c1-16-18(10-13-30-12-3-11-24)14-23(17-4-7-20(8-5-17)31(2,28)29)27(16)19-6-9-21(25)22(26)15-19/h4-9,14-15H,3,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142933
PNG
(CHEMBL3759275)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(9-11-29-12-10-23)13-22(16-3-6-19(7-4-16)30(2,27)28)26(15)18-5-8-20(24)21(25)14-18/h3-8,13-14H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142931
PNG
(CHEMBL3759752)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(11-14-29-13-4-12-24)15-23(26(17)21-6-3-5-20(25)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16H,4,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50142934
PNG
(CHEMBL3758478)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H23F2NO3S/c1-16-18(10-12-28-13-11-23)14-22(25(16)20-5-3-4-19(24)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15H,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142930
PNG
(CHEMBL3759435)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H24F3NO3S/c1-16-18(10-13-30-12-3-11-24)14-23(17-4-7-20(8-5-17)31(2,28)29)27(16)19-6-9-21(25)22(26)15-19/h4-9,14-15H,3,10-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142931
PNG
(CHEMBL3759752)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(11-14-29-13-4-12-24)15-23(26(17)21-6-3-5-20(25)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16H,4,11-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142932
PNG
(CHEMBL3759842)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(12-15-29-14-3-13-24)16-23(26(17)21-8-6-20(25)7-9-21)18-4-10-22(11-5-18)30(2,27)28/h4-11,16H,3,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142934
PNG
(CHEMBL3758478)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H23F2NO3S/c1-16-18(10-12-28-13-11-23)14-22(25(16)20-5-3-4-19(24)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15H,10-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142935
PNG
(CHEMBL3759195)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2NO3S/c1-16-18(11-13-28-14-12-23)15-22(25(16)20-7-5-19(24)6-8-20)17-3-9-21(10-4-17)29(2,26)27/h3-10,15H,11-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142936
PNG
(CHEMBL3758384)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H25F2NO3S/c1-4-12-29-13-11-18-14-23(17-5-8-20(9-6-17)30(3,27)28)26(16(18)2)19-7-10-21(24)22(25)15-19/h5-10,14-15H,4,11-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142937
PNG
(CHEMBL3759726)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H26FNO3S/c1-4-13-28-14-12-19-15-23(18-8-10-22(11-9-18)29(3,26)27)25(17(19)2)21-7-5-6-20(24)16-21/h5-11,15-16H,4,12-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50142933
PNG
(CHEMBL3759275)
Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(9-11-29-12-10-23)13-22(16-3-6-19(7-4-16)30(2,27)28)26(15)18-5-8-20(24)21(25)14-18/h3-8,13-14H,9-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...


Eur J Med Chem 109: 99-106 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.044
BindingDB Entry DOI: 10.7270/Q2Q2423H
More data for this
Ligand-Target Pair