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BDBM197503 US9216968, 102::US9732066, 102

SMILES: COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C

InChI Key: InChIKey=ATFASNHSCGXRFQ-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 = 197503   
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))
BDBM197503
PNG
(US9216968, 102 | US9732066, 102)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19BrCl2N4O3/c1-12-16(26)6-4-8-18(12)30-23(32)14-9-13(10-19-22(14)31-20(29-19)11-34-2)28-24(33)21-15(25)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/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))
BDBM197503
PNG
(US9216968, 102 | US9732066, 102)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19BrCl2N4O3/c1-12-16(26)6-4-8-18(12)30-23(32)14-9-13(10-19-22(14)31-20(29-19)11-34-2)28-24(33)21-15(25)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/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