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SMILES: COc1ccccc1Nc1cnccc1NS(C)(=O)=O

InChI Key: InChIKey=PUTRHUICKBWDCF-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 2 hits for monomerid = 50311379   
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 1


(Homo sapiens (Human))
BDBM50311379
PNG
(CHEMBL1077442 | N-[3-(2-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccccc1Nc1cnccc1NS(C)(=O)=O
Show InChI InChI=1S/C13H15N3O3S/c1-19-13-6-4-3-5-11(13)15-12-9-14-8-7-10(12)16-20(2,17)18/h3-9,15H,1-2H3,(H,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.76E+3n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50311379
PNG
(CHEMBL1077442 | N-[3-(2-methoxyphenylamino)-4-pyri...)
Show SMILES COc1ccccc1Nc1cnccc1NS(C)(=O)=O
Show InChI InChI=1S/C13H15N3O3S/c1-19-13-6-4-3-5-11(13)15-12-9-14-8-7-10(12)16-20(2,17)18/h3-9,15H,1-2H3,(H,14,16)
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>1.00E+5n/an/an/an/an/an/a



University of Liege

Curated by ChEMBL


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


J Med Chem 52: 5864-71 (2009)


Article DOI: 10.1021/jm900702b
BindingDB Entry DOI: 10.7270/Q2CV4JQ6
More data for this
Ligand-Target Pair