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BDBM197403 US9216968, 1::US9732066, 1

SMILES: FC(F)(F)c1ccccc1CNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]cnc12

InChI Key: InChIKey=BMTCRCXHIHJYFN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 197403   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM197403
PNG
(US9216968, 1 | US9732066, 1)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]cnc12
Show InChI InChI=1S/C24H16F6N4O2/c25-23(26,27)17-7-3-1-5-13(17)11-31-21(35)16-9-14(10-19-20(16)33-12-32-19)34-22(36)15-6-2-4-8-18(15)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,33)(H,34,36)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 12.7n/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 US9732066 (2017)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2K35WSW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM197403
PNG
(US9216968, 1 | US9732066, 1)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]cnc12
Show InChI InChI=1S/C24H16F6N4O2/c25-23(26,27)17-7-3-1-5-13(17)11-31-21(35)16-9-14(10-19-20(16)33-12-32-19)34-22(36)15-6-2-4-8-18(15)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,33)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12.7n/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