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BDBM197578 US9216968, 178::US9732066, 178

SMILES: CSCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C

InChI Key: InChIKey=VFIDJLXZYWDWRJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 197578   
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))
BDBM197578
PNG
(US9216968, 178 | US9732066, 178)
Show SMILES CSCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H23ClF3N5O2S/c1-14-19(27)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)31-10-11-38-2)32-23(36)16-6-3-4-7-18(16)26(28,29)30/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H2,31,34,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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))
BDBM197578
PNG
(US9216968, 178 | US9732066, 178)
Show SMILES CSCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H23ClF3N5O2S/c1-14-19(27)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)31-10-11-38-2)32-23(36)16-6-3-4-7-18(16)26(28,29)30/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H2,31,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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