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SMILES: CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PLFPEWKFGGDGPL-UHFFFAOYSA-N

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 4 hits for monomerid = 286045   
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))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.99n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair