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PubMed code 21752640

Compile data set for download or QSAR
Found 6 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 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human platelets COX1 assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 15 mins by...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50350507
PNG
(CHEMBL1814813)
Show SMILES CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C18H17NO3S/c1-19-23(2,21)15-10-8-13(9-11-15)16-12-22-18(20)17(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human platelets COX1 assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 15 mins by...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50350507
PNG
(CHEMBL1814813)
Show SMILES CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C18H17NO3S/c1-19-23(2,21)15-10-8-13(9-11-15)16-12-22-18(20)17(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
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n/an/a 156n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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Article
PubMed
n/an/a 156n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350507
PNG
(CHEMBL1814813)
Show SMILES CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C18H17NO3S/c1-19-23(2,21)15-10-8-13(9-11-15)16-12-22-18(20)17(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of tail current at holding potential of -70 mV after 10 mins by whole-cell p...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50419031
PNG
(CHEMBL2029168)
Show SMILES NS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H15NO3S/c1-22(18,20)14-9-7-12(8-10-14)15-11-21-17(19)16(15)13-5-3-2-4-6-13/h2-10H,1,11H2,(H2,18,20)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of tail current at holding potential of -70 mV after 10 mins by whole-cell p...


Bioorg Med Chem Lett 21: 4888-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.029
BindingDB Entry DOI: 10.7270/Q2J38SX8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%