BindingDB logo
myBDB logout

PubMed code 25961169

Compile data set for download or QSAR
Found 8 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))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50271083
PNG
(5-(5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol...)
Show SMILES Fc1cccc(Cl)c1-c1nc(c(Br)[nH]1)-c1ccc(nc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313224
PNG
(5-(4-tert-butylphenyl)-1-(4-isopropoxyphenyl)-1H-i...)
Show SMILES CC(C)Oc1ccc(cc1)-n1c(cc2cc(ccc12)-c1ccc(cc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H29NO3/c1-18(2)32-24-13-11-23(12-14-24)29-25-15-8-20(16-21(25)17-26(29)27(30)31)19-6-9-22(10-7-19)28(3,4)5/h6-18H,1-5H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 216n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50168766
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C
Show InChI InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using ...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using ...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313224
PNG
(5-(4-tert-butylphenyl)-1-(4-isopropoxyphenyl)-1H-i...)
Show SMILES CC(C)Oc1ccc(cc1)-n1c(cc2cc(ccc12)-c1ccc(cc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H29NO3/c1-18(2)32-24-13-11-23(12-14-24)29-25-15-8-20(16-21(25)17-26(29)27(30)31)19-6-9-22(10-7-19)28(3,4)5/h6-18H,1-5H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 2.58E+3n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using ...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50271083
PNG
(5-(5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol...)
Show SMILES Fc1cccc(Cl)c1-c1nc(c(Br)[nH]1)-c1ccc(nc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.94E+3n/an/an/an/an/an/a



Lilly Biotechnology Center San Diego

Curated by ChEMBL


Assay Description
Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using ...


J Med Chem 58: 4727-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00330
BindingDB Entry DOI: 10.7270/Q23J3FQ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%