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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'samaras' and Initial = 's'   
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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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)
BDBM50168170
PNG
(3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES NCCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H27FN4/c24-20-4-2-19(3-5-20)23-21(17-6-11-26-12-7-17)16-22(27-23)18-8-14-28(15-9-18)13-1-10-25/h2-7,11-12,16,18,27H,1,8-10,13-15,25H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
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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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)
BDBM50374578
PNG
(CHEMBL401749)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC2CNCCN2)CC1 |w:23.25|
Show InChI InChI=1S/C25H30FN5/c26-21-3-1-20(2-4-21)25-23(18-5-9-27-10-6-18)15-24(30-25)19-7-13-31(14-8-19)17-22-16-28-11-12-29-22/h1-6,9-10,15,19,22,28-30H,7-8,11-14,16-17H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374594
PNG
(CHEMBL444009)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CCN2CCC2)CC1
Show InChI InChI=1S/C25H29FN4/c26-22-4-2-21(3-5-22)25-23(19-6-10-27-11-7-19)18-24(28-25)20-8-14-30(15-9-20)17-16-29-12-1-13-29/h2-7,10-11,18,20,28H,1,8-9,12-17H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
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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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)
BDBM50195444
PNG
(2-(ethyl((2-(4-fluorophenyl)-3-(2-((S)-1-phenyleth...)
Show SMILES CCN(CCO)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H30FN5O/c1-3-35(17-18-37)20-22-14-16-36-27(19-22)34-28(24-9-11-25(31)12-10-24)29(36)26-13-15-32-30(33-26)21(2)23-7-5-4-6-8-23/h4-16,19,21,37H,3,17-18,20H2,1-2H3/t21-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
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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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)
BDBM50195435
PNG
(2-(((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethyl)py...)
Show SMILES C[C@@H](c1ccccc1)c1nccc(n1)-c1c(nc2cc(CN(C)CCO)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FN5O/c1-20(22-6-4-3-5-7-22)29-31-14-12-25(32-29)28-27(23-8-10-24(30)11-9-23)33-26-18-21(13-15-35(26)28)19-34(2)16-17-36/h3-15,18,20,36H,16-17,19H2,1-2H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195439
PNG
(CHEMBL221636 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES CCN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C29H28FN5/c1-4-34(3)19-21-15-17-35-26(18-21)33-27(23-10-12-24(30)13-11-23)28(35)25-14-16-31-29(32-25)20(2)22-8-6-5-7-9-22/h5-18,20H,4,19H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
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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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)
BDBM50195446
PNG
(CHEMBL222158 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES CCNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C28H26FN5/c1-3-30-18-20-14-16-34-25(17-20)33-26(22-9-11-23(29)12-10-22)27(34)24-13-15-31-28(32-24)19(2)21-7-5-4-6-8-21/h4-17,19,30H,3,18H2,1-2H3/t19-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
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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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)
BDBM50168185
PNG
(4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperid...)
Show SMILES CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)c(Br)c1)-c1ccncc1
Show InChI InChI=1S/C21H21BrFN3/c1-26-10-6-15(7-11-26)20-13-17(14-4-8-24-9-5-14)21(25-20)16-2-3-19(23)18(22)12-16/h2-5,8-9,12-13,15,25H,6-7,10-11H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
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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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)
BDBM50195441
PNG
(CHEMBL220598 | N-ethyl-N-((2-(4-fluorophenyl)-3-(2...)
Show SMILES CCN(CC)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H30FN5/c1-4-35(5-2)20-22-16-18-36-27(19-22)34-28(24-11-13-25(31)14-12-24)29(36)26-15-17-32-30(33-26)21(3)23-9-7-6-8-10-23/h6-19,21H,4-5,20H2,1-3H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374591
PNG
(CHEMBL255128)
Show SMILES O[C@H]1CN[C@H](CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1
Show InChI InChI=1S/C25H29FN4O/c26-20-3-1-19(2-4-20)25-23(17-5-9-27-10-6-17)14-24(29-25)18-7-11-30(12-8-18)16-21-13-22(31)15-28-21/h1-6,9-10,14,18,21-22,28-29,31H,7-8,11-13,15-16H2/t21-,22+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195433
PNG
(CHEMBL221689 | N-((2-(4-fluorophenyl)-3-(2-((S)-1-...)
Show SMILES C[C@@H](c1ccccc1)c1nccc(n1)-c1c(nc2cc(CNC(C)(C)C)ccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN5/c1-20(22-8-6-5-7-9-22)29-32-16-14-25(34-29)28-27(23-10-12-24(31)13-11-23)35-26-18-21(15-17-36(26)28)19-33-30(2,3)4/h5-18,20,33H,19H2,1-4H3/t20-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195437
PNG
((2-(4-fluorophenyl)-3-(2-((S)-1-phenylethyl)pyrimi...)
Show SMILES CNCc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(n1)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H24FN5/c1-18(20-6-4-3-5-7-20)27-30-14-12-23(31-27)26-25(21-8-10-22(28)11-9-21)32-24-16-19(17-29-2)13-15-33(24)26/h3-16,18,29H,17H2,1-2H3/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171694
PNG
((R)-5-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-py...)
Show SMILES O[C@H]1CNC(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1
Show InChI InChI=1S/C25H29FN4O/c26-20-3-1-19(2-4-20)25-23(17-5-9-27-10-6-17)14-24(29-25)18-7-11-30(12-8-18)16-21-13-22(31)15-28-21/h1-6,9-10,14,18,21-22,28-29,31H,7-8,11-13,15-16H2/t21?,22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
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)
BDBM50374587
PNG
(CHEMBL272573)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC2CNCCO2)CC1 |w:23.25|
Show InChI InChI=1S/C25H29FN4O/c26-21-3-1-20(2-4-21)25-23(18-5-9-27-10-6-18)15-24(29-25)19-7-12-30(13-8-19)17-22-16-28-11-14-31-22/h1-6,9-10,15,19,22,28-29H,7-8,11-14,16-17H2
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n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
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)
BDBM50168208
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES NC1(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C24H27FN4/c25-20-3-1-19(2-4-20)23-21(17-5-11-27-12-6-17)15-22(28-23)18-7-13-29(14-8-18)16-24(26)9-10-24/h1-6,11-12,15,18,28H,7-10,13-14,16,26H2
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n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374588
PNG
(CHEMBL255381)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC1)C(=O)C1CNCCO1 |w:26.29|
Show InChI InChI=1S/C25H27FN4O2/c26-20-3-1-19(2-4-20)24-21(17-5-9-27-10-6-17)15-22(29-24)18-7-12-30(13-8-18)25(31)23-16-28-11-14-32-23/h1-6,9-10,15,18,23,28-29H,7-8,11-14,16H2
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n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195443
PNG
((3-(2-(benzyloxy)pyrimidin-4-yl)-2-(4-fluorophenyl...)
Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(OCc2ccccc2)n1
Show InChI InChI=1S/C27H24FN5O/c1-32(2)17-20-13-15-33-24(16-20)31-25(21-8-10-22(28)11-9-21)26(33)23-12-14-29-27(30-23)34-18-19-6-4-3-5-7-19/h3-16H,17-18H2,1-2H3
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n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168187
PNG
(4-{2-(4-Fluoro-phenyl)-5-[1-(1-methyl-azetidin-2-y...)
Show SMILES CN1CCC1CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H29FN4/c1-29-13-10-22(29)17-30-14-8-19(9-15-30)24-16-23(18-6-11-27-12-7-18)25(28-24)20-2-4-21(26)5-3-20/h2-7,11-12,16,19,22,28H,8-10,13-15,17H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168202
PNG
(2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES NCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H25FN4/c23-19-3-1-18(2-4-19)22-20(16-5-10-25-11-6-16)15-21(26-22)17-7-12-27(13-8-17)14-9-24/h1-6,10-11,15,17,26H,7-9,12-14,24H2
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168206
PNG
(4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-...)
Show SMILES CCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H24FN3/c1-2-26-13-9-17(10-14-26)21-15-20(16-7-11-24-12-8-16)22(25-21)18-3-5-19(23)6-4-18/h3-8,11-12,15,17,25H,2,9-10,13-14H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374592
PNG
(CHEMBL271922)
Show SMILES CN1CC[C@H]1CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H29FN4/c1-29-13-10-22(29)17-30-14-8-19(9-15-30)24-16-23(18-6-11-27-12-7-18)25(28-24)20-2-4-21(26)5-3-20/h2-7,11-12,16,19,22,28H,8-10,13-15,17H2,1H3/t22-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168192
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CC(=O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H24FN3O/c1-16(28)15-27-12-8-18(9-13-27)22-14-21(17-6-10-25-11-7-17)23(26-22)19-2-4-20(24)5-3-19/h2-7,10-11,14,18,26H,8-9,12-13,15H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195434
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C28H27FN6/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27/h4-17,19H,18H2,1-3H3,(H,30,31,32)/t19-/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374580
PNG
(CHEMBL271638)
Show SMILES CN1C[C@H](O)C[C@H]1CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H31FN4O/c1-30-17-23(32)14-22(30)16-31-12-8-19(9-13-31)25-15-24(18-6-10-28-11-7-18)26(29-25)20-2-4-21(27)5-3-20/h2-7,10-11,15,19,22-23,29,32H,8-9,12-14,16-17H2,1H3/t22-,23+/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50183915
PNG
((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-y...)
Show SMILES CN(C)Cc1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C18H18FN3/c1-22(2)12-16-11-17(13-7-9-20-10-8-13)18(21-16)14-3-5-15(19)6-4-14/h3-11,21H,12H2,1-2H3
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 2817-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.041
BindingDB Entry DOI: 10.7270/Q21V5DK1
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374590
PNG
(CHEMBL406910)
Show SMILES CCN1C[C@H](O)C[C@H]1CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C27H33FN4O/c1-2-32-18-24(33)15-23(32)17-31-13-9-20(10-14-31)26-16-25(19-7-11-29-12-8-19)27(30-26)21-3-5-22(28)6-4-21/h3-8,11-12,16,20,23-24,30,33H,2,9-10,13-15,17-18H2,1H3/t23-,24+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171685
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CCCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H30FN3O/c1-2-3-22(30)17-29-14-10-19(11-15-29)24-16-23(18-8-12-27-13-9-18)25(28-24)20-4-6-21(26)7-5-20/h4-9,12-13,16,19,22,28,30H,2-3,10-11,14-15,17H2,1H3
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n/an/a 0.380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50374593
PNG
(CHEMBL429745)
Show SMILES CC(CN1CCC1)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |w:1.0|
Show InChI InChI=1S/C26H31FN4/c1-19(18-30-13-2-14-30)31-15-9-21(10-16-31)25-17-24(20-7-11-28-12-8-20)26(29-25)22-3-5-23(27)6-4-22/h3-8,11-12,17,19,21,29H,2,9-10,13-16,18H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 18: 2019-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.104
BindingDB Entry DOI: 10.7270/Q2BV7HHX
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171698
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CC(O)C(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O2/c1-16(29)23(30)15-28-12-8-18(9-13-28)22-14-21(17-6-10-26-11-7-17)24(27-22)19-2-4-20(25)5-3-19/h2-7,10-11,14,16,18,23,27,29-30H,8-9,12-13,15H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171707
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CCCCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H32FN3O/c1-2-3-4-23(31)18-30-15-11-20(12-16-30)25-17-24(19-9-13-28-14-10-19)26(29-25)21-5-7-22(27)8-6-21/h5-10,13-14,17,20,23,29,31H,2-4,11-12,15-16,18H2,1H3
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168190
PNG
(4-[2-(3-Chloro-4-fluoro-phenyl)-5-(1-methyl-piperi...)
Show SMILES CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)c(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C21H21ClFN3/c1-26-10-6-15(7-11-26)20-13-17(14-4-8-24-9-5-14)21(25-20)16-2-3-19(23)18(22)12-16/h2-5,8-9,12-13,15,25H,6-7,10-11H2,1H3
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n/an/a 0.440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171705
PNG
(1-Benzyloxy-3-{4-[5-(4-fluoro-phenyl)-4-pyridin-4-...)
Show SMILES OC(COCc1ccccc1)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C30H32FN3O2/c31-26-8-6-25(7-9-26)30-28(23-10-14-32-15-11-23)18-29(33-30)24-12-16-34(17-13-24)19-27(35)21-36-20-22-4-2-1-3-5-22/h1-11,14-15,18,24,27,33,35H,12-13,16-17,19-21H2
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n/an/a 0.470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50195447
PNG
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)C)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C28H27FN6/c1-19(21-7-5-4-6-8-21)31-28-30-15-13-24(32-28)27-26(22-9-11-23(29)12-10-22)33-25-17-20(18-34(2)3)14-16-35(25)27/h4-17,19H,18H2,1-3H3,(H,30,31,32)/t19-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella PKG


Bioorg Med Chem Lett 16: 5978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.127
BindingDB Entry DOI: 10.7270/Q2KS6R6W
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171699
PNG
((S)-1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-py...)
Show SMILES C[C@H](O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3O/c1-16(28)15-27-12-8-18(9-13-27)22-14-21(17-6-10-25-11-7-17)23(26-22)19-2-4-20(24)5-3-19/h2-7,10-11,14,16,18,26,28H,8-9,12-13,15H2,1H3/t16-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171693
PNG
(3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-3-1-18(2-4-19)23-21(16-5-9-25-10-6-16)13-22(26-23)17-7-11-27(12-8-17)14-20(29)15-28/h1-6,9-10,13,17,20,26,28-29H,7-8,11-12,14-15H2
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n/an/a 0.510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171693
PNG
(3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-3-1-18(2-4-19)23-21(16-5-9-25-10-6-16)13-22(26-23)17-7-11-27(12-8-17)14-20(29)15-28/h1-6,9-10,13,17,20,26,28-29H,7-8,11-12,14-15H2
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n/an/a 0.510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168176
PNG
(3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3O/c24-20-4-2-19(3-5-20)23-21(17-6-10-25-11-7-17)16-22(26-23)18-8-13-27(14-9-18)12-1-15-28/h2-7,10-11,16,18,26,28H,1,8-9,12-15H2
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n/an/a 0.530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase


Bioorg Med Chem Lett 15: 3296-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.060
BindingDB Entry DOI: 10.7270/Q24M9421
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50168176
PNG
(3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3O/c24-20-4-2-19(3-5-20)23-21(17-6-10-25-11-7-17)16-22(26-23)18-8-13-27(14-9-18)12-1-15-28/h2-7,10-11,16,18,26,28H,1,8-9,12-15H2
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n/an/a 0.530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171695
PNG
((R)1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyr...)
Show SMILES COCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O2/c1-30-16-21(29)15-28-12-8-18(9-13-28)23-14-22(17-6-10-26-11-7-17)24(27-23)19-2-4-20(25)5-3-19/h2-7,10-11,14,18,21,27,29H,8-9,12-13,15-16H2,1H3
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n/an/a 0.560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171688
PNG
(1-Ethoxy-3-{4-[5-(4-fluoro-phenyl)-4-pyridin-4-yl-...)
Show SMILES CCOCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H30FN3O2/c1-2-31-17-22(30)16-29-13-9-19(10-14-29)24-15-23(18-7-11-27-12-8-18)25(28-24)20-3-5-21(26)6-4-20/h3-8,11-12,15,19,22,28,30H,2,9-10,13-14,16-17H2,1H3
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n/an/a 0.590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50171702
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C29H30FN3O2/c30-24-8-6-23(7-9-24)29-27(21-10-14-31-15-11-21)18-28(32-29)22-12-16-33(17-13-22)19-25(34)20-35-26-4-2-1-3-5-26/h1-11,14-15,18,22,25,32,34H,12-13,16-17,19-20H2
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n/an/a 0.660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella


Bioorg Med Chem Lett 15: 4570-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.096
BindingDB Entry DOI: 10.7270/Q2416WM9
More data for this
Ligand-Target Pair
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