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SMILES: CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F

InChI Key: InChIKey=DLWFZKKISURUAX-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 4 hits for monomerid = 50373538   
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))
BDBM50373538
PNG
(CHEMBL273118)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S2/c1-31(28,29)16-8-6-13(7-9-16)20-26-18(21(22,23)24)11-19(27-20)25-12-15-10-14-4-2-3-5-17(14)30-15/h2-11H,12H2,1H3,(H,25,26,27)
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Article
PubMed
n/an/a 293n/an/an/an/an/an/a



Faes Farma S.A.

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in human whole blood


Bioorg Med Chem 16: 2183-99 (2008)


Article DOI: 10.1016/j.bmc.2007.11.079
BindingDB Entry DOI: 10.7270/Q2GX4CDQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373538
PNG
(CHEMBL273118)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S2/c1-31(28,29)16-8-6-13(7-9-16)20-26-18(21(22,23)24)11-19(27-20)25-12-15-10-14-4-2-3-5-17(14)30-15/h2-11H,12H2,1H3,(H,25,26,27)
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Article
n/an/a 293n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373538
PNG
(CHEMBL273118)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S2/c1-31(28,29)16-8-6-13(7-9-16)20-26-18(21(22,23)24)11-19(27-20)25-12-15-10-14-4-2-3-5-17(14)30-15/h2-11H,12H2,1H3,(H,25,26,27)
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Article
n/an/a 3.41E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373538
PNG
(CHEMBL273118)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(NCc2cc3ccccc3s2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S2/c1-31(28,29)16-8-6-13(7-9-16)20-26-18(21(22,23)24)11-19(27-20)25-12-15-10-14-4-2-3-5-17(14)30-15/h2-11H,12H2,1H3,(H,25,26,27)
PDB
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PC sid
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Article
PubMed
n/an/a 5.92n/an/an/an/an/an/a



Faes Farma S.A.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem 16: 2183-99 (2008)


Article DOI: 10.1016/j.bmc.2007.11.079
BindingDB Entry DOI: 10.7270/Q2GX4CDQ
More data for this
Ligand-Target Pair