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SMILES: NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F

InChI Key: InChIKey=ZRRYXKCNPQIHJZ-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 = 50373526   
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))
BDBM50373526
PNG
(CHEMBL408215)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,21,22,23)
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Article
PubMed
n/an/a 51.9n/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))
BDBM50373526
PNG
(CHEMBL408215)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,21,22,23)
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Article
n/an/a 52n/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))
BDBM50373526
PNG
(CHEMBL408215)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,21,22,23)
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Article
n/an/a 1.93E+7n/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))
BDBM50373526
PNG
(CHEMBL408215)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NCc2ccsc2)cc(n1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O2S2/c17-16(18,19)13-7-14(21-8-10-5-6-26-9-10)23-15(22-13)11-1-3-12(4-2-11)27(20,24)25/h1-7,9H,8H2,(H2,20,24,25)(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/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