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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'ferreiros' and Initial = 'n'   
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))
BDBM50443967
PNG
(CHEMBL3092283)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCCC1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29NO4S/c29-27(30)25-15-17-26(18-16-25)33(31,32)28(19-21-7-3-1-4-8-21)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h2,5-6,9-18,21H,1,3-4,7-8,19-20H2,(H,29,30)
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n/an/a 800n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50443968
PNG
(CHEMBL3092271)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO5S/c29-27(30)23-13-17-26(18-14-23)34(31,32)28(19-21-7-3-1-4-8-21)20-22-11-15-25(16-12-22)33-24-9-5-2-6-10-24/h1-18H,19-20H2,(H,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50443969
PNG
(CHEMBL3092270)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H21NO5S/c28-26(29)21-11-17-25(18-12-21)33(30,31)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)32-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50443970
PNG
(CHEMBL3092269)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O4S/c29-26(30)21-11-17-25(18-12-21)33(31,32)28(19-20-7-3-1-4-8-20)24-15-13-23(14-16-24)27-22-9-5-2-6-10-22/h1-18,27H,19H2,(H,29,30)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50443971
PNG
(CHEMBL3092263 | US9247759, 5-23)
Show SMILES COc1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27NO5S/c1-28-20-11-7-18(8-12-20)16-23(15-17-5-3-2-4-6-17)29(26,27)21-13-9-19(10-14-21)22(24)25/h7-14,17H,2-6,15-16H2,1H3,(H,24,25)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM60947
PNG
(BDBM50443972 | US9247759, compound C)
Show SMILES COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H21NO5S/c1-28-20-11-7-18(8-12-20)16-23(15-17-5-3-2-4-6-17)29(26,27)21-13-9-19(10-14-21)22(24)25/h2-14H,15-16H2,1H3,(H,24,25)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated...


Bioorg Med Chem 21: 7874-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.006
BindingDB Entry DOI: 10.7270/Q2736SCJ
More data for this
Ligand-Target Pair