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SMILES: CCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=SNPVCUNFLUMOJV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158439   
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))
BDBM50158439
PNG
(CHEMBL223655 | N-[3-(4-chlorophenoxy)-4-pyridinyl]...)
Show SMILES CCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16)
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 3.28E+3n/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))
BDBM50158439
PNG
(CHEMBL223655 | N-[3-(4-chlorophenoxy)-4-pyridinyl]...)
Show SMILES CCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+3n/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