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BDBM197590 US9216968, 190::US9732066, 190

SMILES: COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C

InChI Key: InChIKey=RKXCTVFBZIGHKN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 197590   
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))
BDBM197590
PNG
(US9216968, 190 | US9732066, 190)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H28Cl3N5O3/c1-15-20(30)6-5-7-22(15)34-26(38)19-11-17(33-25(37)18-10-16(29)8-9-21(18)31)12-23-24(19)36-27(35-23)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,37)(H,34,38)(H2,32,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/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))
BDBM197590
PNG
(US9216968, 190 | US9732066, 190)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H28Cl3N5O3/c1-15-20(30)6-5-7-22(15)34-26(38)19-11-17(33-25(37)18-10-16(29)8-9-21(18)31)12-23-24(19)36-27(35-23)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,37)(H,34,38)(H2,32,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/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