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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.8
BDBM451506

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))
BDBM451506
PNG
(US10710967, Example 103 | US10710967, Example 217)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N5O2/c1-10(2)18(31)25-7-11-3-4-14(21)13(5-11)17-28-15(6-16(30)29-17)12-8-26-19(27-9-12)20(22,23)24/h3-6,8-10H,7H2,1-2H3,(H,25,31)(H,28,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



ASKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...


US Patent US10710967 (2020)


BindingDB Entry DOI: 10.7270/Q2NZ8BP9
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM451506
PNG
(US10710967, Example 103 | US10710967, Example 217)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF3N5O2/c1-10(2)18(31)25-7-11-3-4-14(21)13(5-11)17-28-15(6-16(30)29-17)12-8-26-19(27-9-12)20(22,23)24/h3-6,8-10H,7H2,1-2H3,(H,25,31)(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



ASKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...


US Patent US10710967 (2020)


BindingDB Entry DOI: 10.7270/Q2NZ8BP9
More data for this
Ligand-Target Pair