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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.8
BDBM197611

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))
BDBM197611
PNG
(US9216968, 211 | US9732066, 211)
Show SMILES Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(nc23)C2(C)CC2)cc1Cl
Show InChI InChI=1S/C26H21Cl3N4O2/c1-13-3-5-15(11-20(13)29)30-24(35)18-10-16(31-23(34)17-9-14(27)4-6-19(17)28)12-21-22(18)33-25(32-21)26(2)7-8-26/h3-6,9-12H,7-8H2,1-2H3,(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 2.5n/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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM197611
PNG
(US9216968, 211 | US9732066, 211)
Show SMILES Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(nc23)C2(C)CC2)cc1Cl
Show InChI InChI=1S/C26H21Cl3N4O2/c1-13-3-5-15(11-20(13)29)30-24(35)18-10-16(31-23(34)17-9-14(27)4-6-19(17)28)12-21-22(18)33-25(32-21)26(2)7-8-26/h3-6,9-12H,7-8H2,1-2H3,(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 2.5n/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