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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50326533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50326533
PNG
((1-methyl-1H-indol-3-yl)(4-(methylsulfonyl)phenyl)...)
Show SMILES Cn1cc(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H15NO3S/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(10-8-12)22(2,20)21/h3-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.68E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by spectrophotometry


J Med Chem 53: 6560-71 (2010)


Article DOI: 10.1021/jm100398z
BindingDB Entry DOI: 10.7270/Q21R6QQW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50326533
PNG
((1-methyl-1H-indol-3-yl)(4-(methylsulfonyl)phenyl)...)
Show SMILES Cn1cc(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H15NO3S/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(10-8-12)22(2,20)21/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.64E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by spectrophotometry


J Med Chem 53: 6560-71 (2010)


Article DOI: 10.1021/jm100398z
BindingDB Entry DOI: 10.7270/Q21R6QQW
More data for this
Ligand-Target Pair