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SMILES: Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1

InChI Key: InChIKey=UPOOCQONPNXLKC-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 5 hits for monomerid = 185729   
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 G/H synthase 2


(Homo sapiens (Human))
BDBM185729
PNG
(US9162979, 23-II)
Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)
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US Patent
n/an/a 300n/an/an/an/an/a37



ROTTAPHARM BIOTECH S.R.L.

US Patent


Assay Description
The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), p...


US Patent US9162979 (2015)


BindingDB Entry DOI: 10.7270/Q23T9G01
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM185729
PNG
(US9162979, 23-II)
Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in human whole blood assessed as prostaglandin E2 production by RIA


Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM185729
PNG
(US9162979, 23-II)
Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15...


Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM185729
PNG
(US9162979, 23-II)
Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...


Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM185729
PNG
(US9162979, 23-II)
Show SMILES Cc1c(CC(=O)NCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O4S/c1-15-17(14-22(27)24-11-12-26)13-21(25(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,28)29/h3-10,13,26H,11-12,14H2,1-2H3,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as thromboxane B2 production by RIA


Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair