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SMILES: FC(F)(F)S(=O)(=O)Nc1ccncc1Sc1ccccc1

InChI Key: InChIKey=ALOKHRRVYXMQQV-UHFFFAOYSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158437   
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))
BDBM50158437
PNG
(CHEMBL224612 | N-(3-phenylsulfanyl-4-pyridinyl)tri...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Sc1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S2/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)
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 530n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production


J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50158437
PNG
(CHEMBL224612 | N-(3-phenylsulfanyl-4-pyridinyl)tri...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Sc1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S2/c13-12(14,15)21(18,19)17-10-6-7-16-8-11(10)20-9-4-2-1-3-5-9/h1-8H,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Université de Liège

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...


J Med Chem 47: 6749-59 (2004)


Article DOI: 10.1021/jm049480l
BindingDB Entry DOI: 10.7270/Q2FF3RVK
More data for this
Ligand-Target Pair