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PubMed code 18276140

Compile data set for download or QSAR
Found 18 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)
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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n/an/a 0.0700n/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)
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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n/an/a 0.0800n/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)
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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n/an/a 0.160n/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)
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)
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)
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)
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)
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)
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)
BDBM50374585
PNG
(CHEMBL255631)
Show SMILES CN1CCOC(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1 |w:5.5|
Show InChI InChI=1S/C26H31FN4O/c1-30-14-15-32-23(17-30)18-31-12-8-20(9-13-31)25-16-24(19-6-10-28-11-7-19)26(29-25)21-2-4-22(27)5-3-21/h2-7,10-11,16,20,23,29H,8-9,12-15,17-18H2,1H3
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n/an/a 0.670n/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)
BDBM50374582
PNG
(CHEMBL401546)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC(=O)N2CCC2)CC1
Show InChI InChI=1S/C25H27FN4O/c26-21-4-2-20(3-5-21)25-22(18-6-10-27-11-7-18)16-23(28-25)19-8-14-29(15-9-19)17-24(31)30-12-1-13-30/h2-7,10-11,16,19,28H,1,8-9,12-15,17H2
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n/an/a 1.01n/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)
BDBM50374586
PNG
(CHEMBL256076)
Show SMILES COC(=O)N1CCOC(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1 |w:8.8|
Show InChI InChI=1S/C27H31FN4O3/c1-34-27(33)32-14-15-35-23(18-32)17-31-12-8-20(9-13-31)25-16-24(19-6-10-29-11-7-19)26(30-25)21-2-4-22(28)5-3-21/h2-7,10-11,16,20,23,30H,8-9,12-15,17-18H2,1H3
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n/an/a 1.03n/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)
BDBM50374584
PNG
(CHEMBL255630)
Show SMILES CN1CCN(C)C(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1 |w:6.6|
Show InChI InChI=1S/C27H34FN5/c1-31-15-16-32(2)24(18-31)19-33-13-9-21(10-14-33)26-17-25(20-7-11-29-12-8-20)27(30-26)22-3-5-23(28)6-4-22/h3-8,11-12,17,21,24,30H,9-10,13-16,18-19H2,1-2H3
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n/an/a 1.08n/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)
BDBM50374577
PNG
(CHEMBL410828)
Show SMILES CS(=O)(=O)N1CCN(C(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1)S(C)(=O)=O |w:8.8|
Show InChI InChI=1S/C27H34FN5O4S2/c1-38(34,35)32-15-16-33(39(2,36)37)24(19-32)18-31-13-9-21(10-14-31)26-17-25(20-7-11-29-12-8-20)27(30-26)22-3-5-23(28)6-4-22/h3-8,11-12,17,21,24,30H,9-10,13-16,18-19H2,1-2H3
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n/an/a 1.41n/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)
BDBM50374581
PNG
(CHEMBL404022)
Show SMILES OC[C@@H]1CCN1CCN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H31FN4O/c27-22-3-1-21(2-4-22)26-24(19-5-10-28-11-6-19)17-25(29-26)20-7-12-30(13-8-20)15-16-31-14-9-23(31)18-32/h1-6,10-11,17,20,23,29,32H,7-9,12-16,18H2/t23-/m0/s1
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n/an/a 1.70n/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)
BDBM50374589
PNG
(CHEMBL401922)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1CN1CCC(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+/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)
BDBM50374583
PNG
(CHEMBL272361)
Show SMILES CC(=O)N1CCN(C(CN2CCC(CC2)c2cc(c([nH]2)-c2ccc(F)cc2)-c2ccncc2)C1)C(C)=O |w:7.7|
Show InChI InChI=1S/C29H34FN5O2/c1-20(36)34-15-16-35(21(2)37)26(19-34)18-33-13-9-23(10-14-33)28-17-27(22-7-11-31-12-8-22)29(32-28)24-3-5-25(30)6-4-24/h3-8,11-12,17,23,26,32H,9-10,13-16,18-19H2,1-2H3
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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)
BDBM50374579
PNG
(CHEMBL404429)
Show SMILES COC(=O)N1CCOC(C1)C(=O)N1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |w:8.10|
Show InChI InChI=1S/C27H29FN4O4/c1-35-27(34)32-14-15-36-24(17-32)26(33)31-12-8-19(9-13-31)23-16-22(18-6-10-29-11-7-18)25(30-23)20-2-4-21(28)5-3-20/h2-7,10-11,16,19,24,30H,8-9,12-15,17H2,1H3
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n/an/a 4.70n/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
* indicates data uncertainty>20%