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PubMed code 27191614

Compile data set for download or QSAR
Found 4 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))		BDBM50191201
PNG
(CHEMBL3978955)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(O)cc1)-c1ccccc1)C(C)=O |t:4|
Show InChI InChI=1S/C21H19N5O3S/c1-13(27)22-21-24-26(14(2)28)20(30-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(29)11-9-15/h3-12,20,29H,1-2H3,(H,22,24,27)
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay

Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50191273
PNG
(CHEMBL3908604)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O |t:4|
Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay

Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50191273
PNG
(CHEMBL3908604)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O |t:4|
Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)
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PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay

Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50191201
PNG
(CHEMBL3978955)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(O)cc1)-c1ccccc1)C(C)=O |t:4|
Show InChI InChI=1S/C21H19N5O3S/c1-13(27)22-21-24-26(14(2)28)20(30-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(29)11-9-15/h3-12,20,29H,1-2H3,(H,22,24,27)
PDB

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PC cid
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Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay

Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%