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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 198173   
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))
BDBM198173
PNG
(2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...


Bioorg Chem 69: 102-120 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.003
BindingDB Entry DOI: 10.7270/Q2SB44K0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM198173
PNG
(2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Universidad Tecnol£gica de Pereira

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay


Eur J Med Chem 162: 435-447 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.027
BindingDB Entry DOI: 10.7270/Q2DZ0CMM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM198173
PNG
(2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.24E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...


Bioorg Chem 69: 102-120 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.003
BindingDB Entry DOI: 10.7270/Q2SB44K0
More data for this
Ligand-Target Pair