BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.4
BDBM197427

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM197427
PNG
(US9216968, 26 | US9732066, 26)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C24H23F5N4O3/c1-36-12-19-32-18-11-14(31-21(34)15-4-2-3-5-17(15)24(27,28)29)10-16(20(18)33-19)22(35)30-13-6-8-23(25,26)9-7-13/h2-5,10-11,13H,6-9,12H2,1H3,(H,30,35)(H,31,34)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 172n/an/an/an/an/an/a



NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...


US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM197427
PNG
(US9216968, 26 | US9732066, 26)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C24H23F5N4O3/c1-36-12-19-32-18-11-14(31-21(34)15-4-2-3-5-17(15)24(27,28)29)10-16(20(18)33-19)22(35)30-13-6-8-23(25,26)9-7-13/h2-5,10-11,13H,6-9,12H2,1H3,(H,30,35)(H,31,34)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 172n/an/an/an/an/an/a



NIPPON SHINY AKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...


US Patent US9732066 (2017)


BindingDB Entry DOI: 10.7270/Q2K35WSW
More data for this
Ligand-Target Pair