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PubMed code 19195883

Compile data set for download or QSAR
Found 16 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 0.0440n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248496
PNG
(2-(4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol...)
Show SMILES OCCN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H26FN3O/c27-22-4-1-20(2-5-22)26-25(19-7-11-28-12-8-19)23-6-3-21(17-24(23)29-26)18-9-13-30(14-10-18)15-16-31/h1-8,11-12,17-18,29,31H,9-10,13-16H2
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n/an/a 0.100n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248450
PNG
(2-(4-fluorophenyl)-6-(piperidin-4-yl)-3-(pyridin-4...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(ccc2c1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C24H22FN3/c25-20-4-1-18(2-5-20)24-23(17-9-13-27-14-10-17)21-6-3-19(15-22(21)28-24)16-7-11-26-12-8-16/h1-6,9-10,13-16,26,28H,7-8,11-12H2
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n/an/a 0.150n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248451
PNG
(2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-(p...)
Show SMILES CN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H24FN3/c1-29-14-10-17(11-15-29)20-4-7-22-23(16-20)28-25(19-2-5-21(26)6-3-19)24(22)18-8-12-27-13-9-18/h2-9,12-13,16-17,28H,10-11,14-15H2,1H3
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n/an/a 0.150n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248452
PNG
(6-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-3-(py...)
Show SMILES CCN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C26H26FN3/c1-2-30-15-11-18(12-16-30)21-5-8-23-24(17-21)29-26(20-3-6-22(27)7-4-20)25(23)19-9-13-28-14-10-19/h3-10,13-14,17-18,29H,2,11-12,15-16H2,1H3
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n/an/a 0.160n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248396
PNG
(4-(2-(4-fluorophenyl)-6-(piperidin-4-yl)-1H-indol-...)
Show SMILES Nc1nccc(n1)-c1c([nH]c2cc(ccc12)C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN5/c24-17-4-1-15(2-5-17)22-21(19-9-12-27-23(25)29-19)18-6-3-16(13-20(18)28-22)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H2,25,27,29)
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n/an/a 0.210n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248543
PNG
(4-(2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccnc(N)n1
Show InChI InChI=1S/C24H24FN5/c1-30-12-9-15(10-13-30)17-4-7-19-21(14-17)28-23(16-2-5-18(25)6-3-16)22(19)20-8-11-27-24(26)29-20/h2-8,11,14-15,28H,9-10,12-13H2,1H3,(H2,26,27,29)
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n/an/a 0.220n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248397
PNG
(2-(4-(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1nccc(n1)-c1c([nH]c2cc(ccc12)C1CCN(CCO)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN5O/c26-19-4-1-17(2-5-19)24-23(21-7-10-28-25(27)30-21)20-6-3-18(15-22(20)29-24)16-8-11-31(12-9-16)13-14-32/h1-7,10,15-16,29,32H,8-9,11-14H2,(H2,27,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248399
PNG
(2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-(p...)
Show SMILES CN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncn1
Show InChI InChI=1S/C24H23FN4/c1-29-12-9-16(10-13-29)18-4-7-20-22(14-18)28-24(17-2-5-19(25)6-3-17)23(20)21-8-11-26-15-27-21/h2-8,11,14-16,28H,9-10,12-13H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248498
PNG
(2-(4-fluorophenyl)-6-(1-methylazetidin-3-yl)-3-(py...)
Show SMILES CN1CC(C1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H20FN3/c1-27-13-18(14-27)17-4-7-20-21(12-17)26-23(16-2-5-19(24)6-3-16)22(20)15-8-10-25-11-9-15/h2-12,18,26H,13-14H2,1H3
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n/an/a 0.620n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248398
PNG
(2-(4-fluorophenyl)-6-(piperidin-4-yl)-3-(pyrimidin...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(ccc2c1-c1ccncn1)C1CCNCC1
Show InChI InChI=1S/C23H21FN4/c24-18-4-1-16(2-5-18)23-22(20-9-12-26-14-27-20)19-6-3-17(13-21(19)28-23)15-7-10-25-11-8-15/h1-6,9,12-15,25,28H,7-8,10-11H2
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n/an/a 0.650n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248449
PNG
(2-(4-(2-(4-fluorophenyl)-3-(pyrimidin-4-yl)-1H-ind...)
Show SMILES OCCN1CCC(CC1)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncn1
Show InChI InChI=1S/C25H25FN4O/c26-20-4-1-18(2-5-20)25-24(22-7-10-27-16-28-22)21-6-3-19(15-23(21)29-25)17-8-11-30(12-9-17)13-14-31/h1-7,10,15-17,29,31H,8-9,11-14H2
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n/an/a 0.800n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248499
PNG
(2-(4-fluorophenyl)-6-((1-methylpiperidin-4-yl)meth...)
Show SMILES CN1CCC(Cc2ccc3c(c([nH]c3c2)-c2ccc(F)cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C26H26FN3/c1-30-14-10-18(11-15-30)16-19-2-7-23-24(17-19)29-26(21-3-5-22(27)6-4-21)25(23)20-8-12-28-13-9-20/h2-9,12-13,17-18,29H,10-11,14-16H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248542
PNG
(2-(4-fluorophenyl)-6-((4-methylpiperazin-1-yl)meth...)
Show SMILES CN1CCN(Cc2ccc3c(c([nH]c3c2)-c2ccc(F)cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C25H25FN4/c1-29-12-14-30(15-13-29)17-18-2-7-22-23(16-18)28-25(20-3-5-21(26)6-4-20)24(22)19-8-10-27-11-9-19/h2-11,16,28H,12-15,17H2,1H3
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n/an/a 8.90n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248497
PNG
(4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(ccc2c1-c1ccncc1)N1CCOCC1
Show InChI InChI=1S/C23H20FN3O/c24-18-3-1-17(2-4-18)23-22(16-7-9-25-10-8-16)20-6-5-19(15-21(20)26-23)27-11-13-28-14-12-27/h1-10,15,26H,11-14H2
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n/an/a 9.20n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50248541
PNG
((2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c([nH]c2c1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C25H23FN4O/c1-29-12-14-30(15-13-29)25(31)19-4-7-21-22(16-19)28-24(18-2-5-20(26)6-3-18)23(21)17-8-10-27-11-9-17/h2-11,16,28H,12-15H2,1H3
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n/an/a 12.7n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase


Bioorg Med Chem Lett 19: 1517-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.001
BindingDB Entry DOI: 10.7270/Q2WW7HJP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%