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PubMed code 16087336

Compile data set for download or QSAR
Found 32 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)
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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n/an/a 0.160n/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)
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)
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)
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)
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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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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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
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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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 0.690n/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)
BDBM50171690
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CC(C)OCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H32FN3O2/c1-18(2)32-17-23(31)16-30-13-9-20(10-14-30)25-15-24(19-7-11-28-12-8-19)26(29-25)21-3-5-22(27)6-4-21/h3-8,11-12,15,18,20,23,29,31H,9-10,13-14,16-17H2,1-2H3
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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)
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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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)
BDBM50171692
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O/c1-2-21(29)16-28-13-9-18(10-14-28)23-15-22(17-7-11-26-12-8-17)24(27-23)19-3-5-20(25)6-4-19/h3-8,11-12,15,18,21,27,29H,2,9-10,13-14,16H2,1H3
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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)
BDBM50168193
PNG
(2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H24FN3O/c23-19-3-1-18(2-4-19)22-20(16-5-9-24-10-6-16)15-21(25-22)17-7-11-26(12-8-17)13-14-27/h1-6,9-10,15,17,25,27H,7-8,11-14H2
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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)
BDBM50171686
PNG
(1-Allyloxy-3-{4-[5-(4-fluoro-phenyl)-4-pyridin-4-y...)
Show SMILES OC(COCC=C)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H30FN3O2/c1-2-15-32-18-23(31)17-30-13-9-20(10-14-30)25-16-24(19-7-11-28-12-8-19)26(29-25)21-3-5-22(27)6-4-21/h2-8,11-12,16,20,23,29,31H,1,9-10,13-15,17-18H2
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n/an/a 0.800n/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)
BDBM50171700
PNG
((S)-2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-py...)
Show SMILES CC(O)[C@H](CO)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O2/c1-16(30)23(15-29)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/t16?,23-/m0/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)
BDBM50171706
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OC(COCc1ccco1)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C28H30FN3O3/c29-23-5-3-22(4-6-23)28-26(20-7-11-30-12-8-20)16-27(31-28)21-9-13-32(14-10-21)17-24(33)18-34-19-25-2-1-15-35-25/h1-8,11-12,15-16,21,24,31,33H,9-10,13-14,17-19H2
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n/an/a 0.820n/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)
BDBM50171709
PNG
((S,R)-3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-...)
Show SMILES CC(O)[C@H](C)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O/c1-16(17(2)29)28-13-9-19(10-14-28)23-15-22(18-7-11-26-12-8-18)24(27-23)20-3-5-21(25)6-4-20/h3-8,11-12,15-17,19,27,29H,9-10,13-14H2,1-2H3/t16-,17?/m0/s1
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n/an/a 0.860n/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)
BDBM50171691
PNG
((R,S)-3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-...)
Show SMILES CC(O)[C@@H](C)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O/c1-16(17(2)29)28-13-9-19(10-14-28)23-15-22(18-7-11-26-12-8-18)24(27-23)20-3-5-21(25)6-4-20/h3-8,11-12,15-17,19,27,29H,9-10,13-14H2,1-2H3/t16-,17?/m1/s1
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n/an/a 0.940n/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)
BDBM50171689
PNG
(1-tert-Butoxy-3-{4-[5-(4-fluoro-phenyl)-4-pyridin-...)
Show SMILES CC(C)(C)OCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C27H34FN3O2/c1-27(2,3)33-18-23(32)17-31-14-10-20(11-15-31)25-16-24(19-8-12-29-13-9-19)26(30-25)21-4-6-22(28)7-5-21/h4-9,12-13,16,20,23,30,32H,10-11,14-15,17-18H2,1-3H3
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n/an/a 0.980n/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)
BDBM50171684
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES CCCCCCC(O)CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C28H36FN3O/c1-2-3-4-5-6-25(33)20-32-17-13-22(14-18-32)27-19-26(21-11-15-30-16-12-21)28(31-27)23-7-9-24(29)10-8-23/h7-12,15-16,19,22,25,31,33H,2-6,13-14,17-18,20H2,1H3
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n/an/a 1.01n/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)
BDBM50171708
PNG
((R)-2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-py...)
Show SMILES CC(O)[C@@H](CO)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O2/c1-16(30)23(15-29)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/t16?,23-/m1/s1
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n/an/a 1.01n/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)
BDBM50171701
PNG
((R)-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-/m1/s1
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n/an/a 1.20n/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)
BDBM50171703
PNG
(1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OC(CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1)Cc1ccccc1
Show InChI InChI=1S/C29H30FN3O/c30-25-8-6-24(7-9-25)29-27(22-10-14-31-15-11-22)19-28(32-29)23-12-16-33(17-13-23)20-26(34)18-21-4-2-1-3-5-21/h1-11,14-15,19,23,26,32,34H,12-13,16-18,20H2
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n/an/a 1.28n/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)
BDBM50171704
PNG
(4-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCCCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H28FN3O/c25-21-5-3-20(4-6-21)24-22(18-7-11-26-12-8-18)17-23(27-24)19-9-14-28(15-10-19)13-1-2-16-29/h3-8,11-12,17,19,27,29H,1-2,9-10,13-16H2
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n/an/a 1.34n/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)
BDBM50171687
PNG
(5-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol...)
Show SMILES OCCCCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H30FN3O/c26-22-6-4-21(5-7-22)25-23(19-8-12-27-13-9-19)18-24(28-25)20-10-15-29(16-11-20)14-2-1-3-17-30/h4-9,12-13,18,20,28,30H,1-3,10-11,14-17H2
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n/an/a 1.46n/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)
BDBM50171697
PNG
(Acetic acid 2-{4-[5-(4-fluoro-phenyl)-4-pyridin-4-...)
Show SMILES CC(=O)OCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C24H26FN3O2/c1-17(29)30-15-14-28-12-8-19(9-13-28)23-16-22(18-6-10-26-11-7-18)24(27-23)20-2-4-21(25)5-3-20/h2-7,10-11,16,19,27H,8-9,12-15H2,1H3
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n/an/a 2.08n/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)
BDBM50171696
PNG
(1-((R)-2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H...)
Show SMILES CC(=O)N1C[C@H](O)CC1CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C27H31FN4O2/c1-18(33)32-17-24(34)14-23(32)16-31-12-8-20(9-13-31)26-15-25(19-6-10-29-11-7-19)27(30-26)21-2-4-22(28)5-3-21/h2-7,10-11,15,20,23-24,30,34H,8-9,12-14,16-17H2,1H3/t23?,24-/m1/s1
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n/an/a 2.20n/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)
BDBM50168204
PNG
(4-[2-(4-Fluoro-phenyl)-5-(1-propyl-piperidin-4-yl)...)
Show SMILES CCCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H26FN3/c1-2-13-27-14-9-18(10-15-27)22-16-21(17-7-11-25-12-8-17)23(26-22)19-3-5-20(24)6-4-19/h3-8,11-12,16,18,26H,2,9-10,13-15H2,1H3
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n/an/a 4.20n/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
* indicates data uncertainty>20%