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PubMed code 26316467

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Hunan University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid after 15 mins by fluorescence based assay


Bioorg Med Chem Lett 25: 4082-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.034
BindingDB Entry DOI: 10.7270/Q25X2BR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 7.84E+4n/an/an/an/an/an/a



Hunan University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid after 15 mins by fluorescence based assay


Bioorg Med Chem Lett 25: 4082-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.034
BindingDB Entry DOI: 10.7270/Q25X2BR7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%