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PubMed code 19699645

Compile data set for download or QSAR
Found 12 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
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34117
PNG
(hydroquinone derivative, 5a)
Show SMILES CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC
Show InChI InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
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Article
PubMed
n/an/a 340n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34118
PNG
(hydroquinone derivative, 5b)
Show SMILES CCC(C)(CC)c1cc(O)c(cc1O)C(C)(CC)CC
Show InChI InChI=1S/C18H30O2/c1-7-17(5,8-2)13-11-16(20)14(12-15(13)19)18(6,9-3)10-4/h11-12,19-20H,7-10H2,1-6H3
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Article
PubMed
n/an/a 610n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34122
PNG
(hydroquinone derivative, 9)
Show SMILES CC(C)(C)c1cc(OC(=O)CCCN)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C18H29NO3/c1-17(2,3)12-11-15(22-16(21)8-7-9-19)13(10-14(12)20)18(4,5)6/h10-11,20H,7-9,19H2,1-6H3
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UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34119
PNG
(hydroquinone derivative, 5c)
Show SMILES CCC(CC)(CC)c1cc(O)c(cc1O)C(CC)(CC)CC
Show InChI InChI=1S/C20H34O2/c1-7-19(8-2,9-3)15-13-18(22)16(14-17(15)21)20(10-4,11-5)12-6/h13-14,21-22H,7-12H2,1-6H3
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34115
PNG
(hydroquinone derivative, 3a)
Show SMILES CCC(C)(C)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C18H21NO4/c1-4-18(2,3)15-11-16(20)13(10-17(15)21)9-12-5-7-14(8-6-12)19(22)23/h5-8,10-11,20-21H,4,9H2,1-3H3
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Article
PubMed
n/an/a 3.80E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34112
PNG
(hydroquinone derivative, 2b)
Show SMILES Oc1ccc(O)c(Cc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H11NO4/c15-12-5-6-13(16)10(8-12)7-9-1-3-11(4-2-9)14(17)18/h1-6,8,15-16H,7H2
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Article
PubMed
n/an/a 5.70E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34120
PNG
(hydroquinone derivative, 6)
Show SMILES Oc1cc(CC=C)c(O)cc1CC=C
Show InChI InChI=1S/C12H14O2/c1-3-5-9-7-12(14)10(6-4-2)8-11(9)13/h3-4,7-8,13-14H,1-2,5-6H2
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34113
PNG
(hydroquinone derivative, 2c)
Show SMILES COc1ccc(Cc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C14H14O3/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9,15-16H,8H2,1H3
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UniChem

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Article
PubMed
n/an/a 7.30E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34116
PNG
(hydroquinone derivative, 3b)
Show SMILES CCC(C)(CC)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C19H23NO4/c1-4-19(3,5-2)16-12-17(21)14(11-18(16)22)10-13-6-8-15(9-7-13)20(23)24/h6-9,11-12,21-22H,4-5,10H2,1-3H3
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34121
PNG
(hydroquinone derivative, 8b)
Show SMILES CC(C)(C)OC(=O)NCCCC(=O)Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H37NO5/c1-21(2,3)15-14-18(16(13-17(15)25)22(4,5)6)28-19(26)11-10-12-24-20(27)29-23(7,8)9/h13-14,25H,10-12H2,1-9H3,(H,24,27)
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UniChem
Article
PubMed
n/an/a 2.90E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34114
PNG
(hydroquinone derivative, 2d)
Show SMILES Oc1ccc(O)c(Cc2ccco2)c1
Show InChI InChI=1S/C11H10O3/c12-9-3-4-11(13)8(6-9)7-10-2-1-5-14-10/h1-6,12-13H,7H2
PDB
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UniChem

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Article
PubMed
n/an/a 5.20E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34111
PNG
(BMC171353 Compound 6b | hydroquinone derivative, 2...)
Show SMILES Oc1ccc(O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
PDB
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UniChem

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Article
PubMed
n/an/a 1.20E+5n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)


Article DOI: 10.1016/j.bmc.2009.07.075
BindingDB Entry DOI: 10.7270/Q2154FCG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%