BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM314833'   
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))
BDBM314833
PNG
( (−) (R) 3-[3-({[4-(5-Chloropyridin-3-yl)phe...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C28H29ClN2O3/c1-18-19(13-14-26(32)33)7-4-8-25(18)31-28(34)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(29)17-30-16-23/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,31,34)(H,32,33)/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubate...


Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM314833
PNG
( (−) (R) 3-[3-({[4-(5-Chloropyridin-3-yl)phe...)
Show SMILES Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C28H29ClN2O3/c1-18-19(13-14-26(32)33)7-4-8-25(18)31-28(34)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(29)17-30-16-23/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,31,34)(H,32,33)/t27-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 765n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate incubated f...


Bioorg Med Chem Lett 29: 2700-2705 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.007
BindingDB Entry DOI: 10.7270/Q2FX7DTB
More data for this
Ligand-Target Pair