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BDBM197573 US9216968, 173::US9732066, 173

SMILES: COCC(C)(C)CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C

InChI Key: InChIKey=AZMSBHSQKRZEPB-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 = 197573   
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))
BDBM197573
PNG
(US9216968, 173 | US9732066, 173)
Show SMILES COCC(C)(C)CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C30H31ClF3N5O3/c1-17-22(31)11-8-12-23(17)36-27(41)20-13-18(35-26(40)19-9-6-7-10-21(19)30(32,33)34)14-24-25(20)38-28(37-24)39(4)15-29(2,3)16-42-5/h6-14H,15-16H2,1-5H3,(H,35,40)(H,36,41)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM197573
PNG
(US9216968, 173 | US9732066, 173)
Show SMILES COCC(C)(C)CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C30H31ClF3N5O3/c1-17-22(31)11-8-12-23(17)36-27(41)20-13-18(35-26(40)19-9-6-7-10-21(19)30(32,33)34)14-24-25(20)38-28(37-24)39(4)15-29(2,3)16-42-5/h6-14H,15-16H2,1-5H3,(H,35,40)(H,36,41)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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