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PubMed code 16464591

Compile data set for download or QSAR
Found 15 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
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182369
PNG
(4-(2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)H-...)
Show SMILES CN1CCC(CC1)c1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C23H23FN6/c1-29-11-7-15(8-12-29)17-9-13-30-20(14-17)28-21(16-2-4-18(24)5-3-16)22(30)19-6-10-26-23(25)27-19/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182367
PNG
(4-(2-(4-fluorophenyl)-7-(piperidin-4-yl)H-imidazo[...)
Show SMILES Nc1nccc(n1)-c1c(nc2cc(ccn12)C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6/c23-17-3-1-15(2-4-17)20-21(18-7-11-26-22(24)27-18)29-12-8-16(13-19(29)28-20)14-5-9-25-10-6-14/h1-4,7-8,11-14,25H,5-6,9-10H2,(H2,24,26,27)
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n/an/a 0.0500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182359
PNG
(CHEMBL379059 | N-benzyl-4-(7-((dimethylamino)methy...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)n1
Show InChI InChI=1S/C27H25FN6/c1-33(2)18-20-13-15-34-24(16-20)32-25(21-8-10-22(28)11-9-21)26(34)23-12-14-29-27(31-23)30-17-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3,(H,29,30,31)
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n/an/a 0.0810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182362
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182355
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN6/c1-4-11-25-23-26-12-9-19(27-23)22-21(17-5-7-18(24)8-6-17)28-20-14-16(15-29(2)3)10-13-30(20)22/h5-10,12-14H,4,11,15H2,1-3H3,(H,25,26,27)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182358
PNG
(4-(2-(4-fluorophenyl)-7-((methylamino)methyl)H-imi...)
Show SMILES CNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C19H17FN6/c1-22-11-12-7-9-26-16(10-12)25-17(13-2-4-14(20)5-3-13)18(26)15-6-8-23-19(21)24-15/h2-10,22H,11H2,1H3,(H2,21,23,24)
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182361
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C25H29FN6/c1-25(2,3)16-28-24-27-12-10-20(29-24)23-22(18-6-8-19(26)9-7-18)30-21-14-17(15-31(4)5)11-13-32(21)23/h6-14H,15-16H2,1-5H3,(H,27,28,29)
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n/an/a 0.150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182356
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CNc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN6/c1-23-21-24-10-8-17(25-21)20-19(15-4-6-16(22)7-5-15)26-18-12-14(13-27(2)3)9-11-28(18)20/h4-12H,13H2,1-3H3,(H,23,24,25)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182363
PNG
(4-(7-(aminomethyl)-2-(4-fluorophenyl)H-imidazo[1,2...)
Show SMILES NCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C18H15FN6/c19-13-3-1-12(2-4-13)16-17(14-5-7-22-18(21)23-14)25-8-6-11(10-20)9-15(25)24-16/h1-9H,10,20H2,(H2,21,22,23)
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n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182368
PNG
((2-(4-fluorophenyl)-3-(pyrimidin-4-yl)H-imidazo[1,...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccncn1
Show InChI InChI=1S/C20H18FN5/c1-25(2)12-14-8-10-26-18(11-14)24-19(15-3-5-16(21)6-4-15)20(26)17-7-9-22-13-23-17/h3-11,13H,12H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182360
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)N(C)C
Show InChI InChI=1S/C22H23FN6/c1-27(2)14-15-10-12-29-19(13-15)26-20(16-5-7-17(23)8-6-16)21(29)18-9-11-24-22(25-18)28(3)4/h5-13H,14H2,1-4H3
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182357
PNG
((2-(4-fluorophenyl)-3-(2-methoxypyrimidin-4-yl)H-i...)
Show SMILES COc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN5O/c1-26(2)13-14-9-11-27-18(12-14)25-19(15-4-6-16(22)7-5-15)20(27)17-8-10-23-21(24-17)28-3/h4-12H,13H2,1-3H3
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182366
PNG
((3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imi...)
Show SMILES Nc1nccc(n1)-c1c(nc2cc(CO)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)16-17(14-5-7-21-18(20)22-14)24-8-6-11(10-25)9-15(24)23-16/h1-9,25H,10H2,(H2,20,21,22)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182364
PNG
(4-(7-chloro-2-(4-fluorophenyl)H-imidazo[1,2-a]pyri...)
Show SMILES Nc1nccc(n1)-c1c(nc2cc(Cl)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11ClFN5/c18-11-6-8-24-14(9-11)23-15(10-1-3-12(19)4-2-10)16(24)13-5-7-21-17(20)22-13/h1-9H,(H2,20,21,22)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50182365
PNG
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imid...)
Show SMILES Nc1nccc(n1)-c1c(nc2cc(ccn12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11FN6/c19-13-3-1-12(2-4-13)16-17(14-5-7-22-18(21)23-14)25-8-6-11(10-20)9-15(25)24-16/h1-9H,(H2,21,22,23)
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n/an/a 11.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against PKG


Bioorg Med Chem Lett 16: 2479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.092
BindingDB Entry DOI: 10.7270/Q24X57CW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%