BindingDB logo
myBDB logout

PubMed code 26602278

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 E synthase


(Homo sapiens (Human))
BDBM50135228
PNG
(CHEMBL3746729)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc2CCCc2c1
Show InChI InChI=1S/C23H22N2O5S/c1-29-20-12-14-22(15-13-20)31(27,28)25(24-19-8-3-2-4-9-19)23(26)30-21-11-10-17-6-5-7-18(17)16-21/h2-4,8-16,24H,5-7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134243
PNG
(CHEMBL3746644)
Show SMILES Cc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C21H20N2O4S/c1-16-8-12-19(13-9-16)27-21(24)23(22-18-6-4-3-5-7-18)28(25,26)20-14-10-17(2)11-15-20/h3-15,22H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134251
PNG
(CHEMBL3746332)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O6S/c1-32-21-16-18-25(19-17-21)35(30,31)28(27-20-8-4-2-5-9-20)26(29)34-24-14-12-23(13-15-24)33-22-10-6-3-7-11-22/h2-19,27H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50135230
PNG
(CHEMBL3747438)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O5S/c1-30(2,3)24-14-20-28(21-15-24)38(34,35)32(31-25-12-8-5-9-13-25)29(33)37-27-18-16-26(17-19-27)36-22-23-10-6-4-7-11-23/h4-21,31H,22H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134249
PNG
(CHEMBL3746507)
Show SMILES CCc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H22N2O5S/c1-3-17-9-11-20(12-10-17)29-22(25)24(23-18-7-5-4-6-8-18)30(26,27)21-15-13-19(28-2)14-16-21/h4-16,23H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134244
PNG
(CHEMBL3746705)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O5S/c1-21-12-18-26(19-13-21)35(31,32)29(28-23-10-6-3-7-11-23)27(30)34-25-16-14-24(15-17-25)33-20-22-8-4-2-5-9-22/h2-19,28H,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134245
PNG
(CHEMBL3746542)
Show SMILES COc1ccccc1OC(=O)N(Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H20N2O5S/c1-16-12-14-18(15-13-16)29(25,26)23(22-17-8-4-3-5-9-17)21(24)28-20-11-7-6-10-19(20)27-2/h3-15,22H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134250
PNG
(CHEMBL3746498)
Show SMILES CCOc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H22N2O6S/c1-3-29-19-9-11-20(12-10-19)30-22(25)24(23-17-7-5-4-6-8-17)31(26,27)21-15-13-18(28-2)14-16-21/h4-16,23H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50134242
PNG
(CHEMBL3747740)
Show SMILES O=C(Oc1ccccc1)N(Nc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)21(20-16-10-4-1-5-11-16)26(23,24)18-14-8-3-9-15-18/h1-15,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%