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PubMed code 16945526

Compile data set for download or QSAR
Found 19 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
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194411
PNG
((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194415
PNG
(2,3-dichloro-N-((1R,2R)-1-hydroxy-2,3-dihydro-1H-i...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H12Cl2N2O2S/c17-12-13-11(23-15(12)18)6-10(19-13)16(22)20-9-5-7-3-1-2-4-8(7)14(9)21/h1-4,6,9,14,19,21H,5H2,(H,20,22)/t9-,14-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194414
PNG
((S)-2-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)sc2[nH]1
Show InChI InChI=1S/C18H18ClN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194420
PNG
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C18H17Br2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194417
PNG
((S)-2-bromo-N-(1-(dimethylamino)-1-oxo-3-phenylpro...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)sc2[nH]1
Show InChI InChI=1S/C18H18BrN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM24363
PNG
(2-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)...)
Show SMILES Clc1cc2cc([nH]c2s1)C(=O)NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194410
PNG
(2,3-dichloro-N-((1R,2R)-6-fluoro-1-hydroxy-2,3-dih...)
Show SMILES O[C@H]1[C@@H](Cc2ccc(F)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H11Cl2FN2O2S/c17-12-13-11(24-15(12)18)5-10(20-13)16(23)21-9-3-6-1-2-7(19)4-8(6)14(9)22/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50065954
PNG
((S)-5-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50136437
PNG
(5-Chloro-1H-indole-2-carboxylic acid (2-oxo-1,2,3,...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C18H14ClN3O2/c19-12-5-6-14-11(7-12)9-15(20-14)17(23)22-16-8-10-3-1-2-4-13(10)21-18(16)24/h1-7,9,16,20H,8H2,(H,21,24)(H,22,23)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194418
PNG
(2,3-dichloro-N-((1R,2R)-6-chloro-1-hydroxy-2,3-dih...)
Show SMILES O[C@H]1[C@@H](Cc2ccc(Cl)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H11Cl3N2O2S/c17-7-2-1-6-3-9(14(22)8(6)4-7)21-16(23)10-5-11-13(20-10)12(18)15(19)24-11/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM24361
PNG
(2,3-dichloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3...)
Show SMILES Clc1sc2cc([nH]c2c1Cl)C(=O)NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C16H11Cl2N3O2S/c17-12-13-11(24-14(12)18)6-10(19-13)16(23)21-9-5-7-3-1-2-4-8(7)20-15(9)22/h1-4,6,9,19H,5H2,(H,20,22)(H,21,23)
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n/an/a 132n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194423
PNG
(2,3-dichloro-N-(2,3-dihydro-1H-inden-2-yl)-4H-thie...)
Show SMILES Clc1sc2cc([nH]c2c1Cl)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C16H12Cl2N2OS/c17-13-14-12(22-15(13)18)7-11(20-14)16(21)19-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,20H,5-6H2,(H,19,21)
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n/an/a 197n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194412
PNG
(2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
Show InChI InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1
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n/an/a 319n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194424
PNG
((S)-3-chloro-N-(1-(methylamino)-1-oxo-3-phenylprop...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2scc(Cl)c2[nH]1
Show InChI InChI=1S/C17H16ClN3O2S/c1-19-16(22)12(7-10-5-3-2-4-6-10)21-17(23)13-8-14-15(20-13)11(18)9-24-14/h2-6,8-9,12,20H,7H2,1H3,(H,19,22)(H,21,23)/t12-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194413
PNG
((S)-2-chloro-N-(1-(methylamino)-1-oxo-3-phenylprop...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)cc2[nH]1
Show InChI InChI=1S/C17H16ClN3O2S/c1-19-16(22)12(7-10-5-3-2-4-6-10)21-17(23)13-8-14-11(20-13)9-15(18)24-14/h2-6,8-9,12,20H,7H2,1H3,(H,19,22)(H,21,23)/t12-/m0/s1
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n/an/a 577n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194422
PNG
(2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6H-thieno[2...)
Show SMILES Clc1cc2cc([nH]c2s1)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C16H13ClN2OS/c17-14-8-11-7-13(19-16(11)21-14)15(20)18-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12,19H,5-6H2,(H,18,20)
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n/an/a 806n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194421
PNG
((S)-N-(1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccsc2[nH]1
Show InChI InChI=1S/C18H19N3O2S/c1-21(2)18(23)15(10-12-6-4-3-5-7-12)19-16(22)14-11-13-8-9-24-17(13)20-14/h3-9,11,15,20H,10H2,1-2H3,(H,19,22)/t15-/m0/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194419
PNG
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc2sc(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C19H19Br2N3O2S/c1-23(2)19(26)13(9-11-7-5-4-6-8-11)24(3)18(25)12-10-14-16(22-12)15(20)17(21)27-14/h4-8,10,13,22H,9H2,1-3H3/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50194416
PNG
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2n1C
Show InChI InChI=1S/C19H19Br2N3O2S/c1-23(2)19(26)12(9-11-7-5-4-6-8-11)22-18(25)13-10-14-16(24(13)3)15(20)17(21)27-14/h4-8,10,12H,9H2,1-3H3,(H,22,25)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay


Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%