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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'ahsan' and Initial = 'hm'   
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 E synthase


(Homo sapiens (Human))
BDBM50402855
PNG
(CHEMBL2204881)
Show SMILES CN(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N6O6/c1-19(15(23)17-11-4-8-13(9-5-11)21(26)27)18-14(22)16-10-2-6-12(7-3-10)20(24)25/h2-9H,1H3,(H,17,23)(H2,16,18,22)
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n/an/a 900n/an/an/an/an/an/a



Kookmin University

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1


Bioorg Med Chem Lett 22: 7335-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.085
BindingDB Entry DOI: 10.7270/Q2VH5Q04
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50402856
PNG
(CHEMBL2204877)
Show SMILES Oc1ccc(Br)cc1C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H15BrO3/c21-16-8-11-19(22)18(12-16)20(23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12,22H,13H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kookmin University

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1


Bioorg Med Chem Lett 22: 7335-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.085
BindingDB Entry DOI: 10.7270/Q2VH5Q04
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50402854
PNG
(CHEMBL2204882)
Show SMILES O=C(Oc1ccccc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)21(16-10-4-1-5-11-16)20-26(23,24)18-14-8-3-9-15-18/h1-15,20H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kookmin University

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1


Bioorg Med Chem Lett 22: 7335-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.085
BindingDB Entry DOI: 10.7270/Q2VH5Q04
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kookmin University

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method


Bioorg Med Chem Lett 22: 7335-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.085
BindingDB Entry DOI: 10.7270/Q2VH5Q04
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Kookmin University

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method


Bioorg Med Chem Lett 22: 7335-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.085
BindingDB Entry DOI: 10.7270/Q2VH5Q04
More data for this
Ligand-Target Pair